1-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-3-methylpiperidine-3-carboxylic acid

C27H30N2O5 — CID 178195821

IUPAC1-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)[C@H]2C[C@H]2CNC(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C27H30N2O5/c1-27(25(31)32)11-6-12-29(16-27)24(30)22-13-17(22)14-28-26(33)34-15-23-20-9-4-2-7-18(20)19-8-3-5-10-21(19)23/h2-5,7-10,17,22-23H,6,11-16H2,1H3,(H,28,33)(H,31,32)/t17-,22-,27?/m0/s1
InChIKeyHCMTWTGAGBRUEY-NUAUYEDOSA-N
MW462.55 g/mol
LogP3.87
Rot. Bonds6

About 1-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-3-methylpiperidine-3-carboxylic acid

1-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-3-methylpiperidine-3-carboxylic acid (PubChem CID 178195821) has the molecular formula C27H30N2O5 and a molecular weight of 462.55 g/mol. Its IUPAC name is 1-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-3-methylpiperidine-3-carboxylic acid
PubChem CID178195821
Molecular FormulaC27H30N2O5
Molecular Weight462.55 g/mol
Exact Mass462.22
IUPAC Name1-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)[C@H]2C[C@H]2CNC(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C27H30N2O5/c1-27(25(31)32)11-6-12-29(16-27)24(30)22-13-17(22)14-28-26(33)34-15-23-20-9-4-2-7-18(20)19-8-3-5-10-21(19)23/h2-5,7-10,17,22-23H,6,11-16H2,1H3,(H,28,33)(H,31,32)/t17-,22-,27?/m0/s1
InChIKeyHCMTWTGAGBRUEY-NUAUYEDOSA-N
XLogP3.87
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-3-methylpiperidine-3-carboxylic acid with MolForge

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Related Compounds

3-ethyl-1-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
CID 178195550
1-[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 178193340
2-ethyl-1-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 178198792
1-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-2-(methoxymethyl)pyrrolidine-2-carboxylic acid
CID 178196010
(2S,3S)-1-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-2-methylpiperidine-3-carboxylic acid
CID 178195679
1-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]cyclopropane-1-carboxylic acid
CID 178195666
1-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]-3-hydroxyazetidine-3-carboxylic acid
CID 178193725
1-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 178195889
2-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-2-azabicyclo[2.1.1]hexane-1-carboxylic acid
CID 178195724
1-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-4-methylpiperidine-2-carboxylic acid
CID 178195545
(2S)-1-[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]-2-methylpyrrolidine-2-carboxylic acid
CID 178192557
1-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopentanecarbonyl]piperidine-3-carboxylic acid
CID 178192335

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-3-methylpiperidine-3-carboxylic acid (CID 178195821) is 1-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-3-methylpiperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(C(=O)[C@H]2C[C@H]2CNC(=O)OCC2c3ccccc3-c3ccccc32)C1.
What is the InChIKey of 1-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-3-methylpiperidine-3-carboxylic acid?
The InChIKey is HCMTWTGAGBRUEY-NUAUYEDOSA-N. The full InChI is InChI=1S/C27H30N2O5/c1-27(25(31)32)11-6-12-29(16-27)24(30)22-13-17(22)14-28-26(33)34-15-23-20-9-4-2-7-18(20)19-8-3-5-10-21(19)23/h2-5,7-10,17,22-23H,6,11-16H2,1H3,(H,28,33)(H,31,32)/t17-,22-,27?/m0/s1.
What are the key properties of 1-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-3-methylpiperidine-3-carboxylic acid?
1-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-3-methylpiperidine-3-carboxylic acid has a molecular weight of 462.55 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 178195821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).