3-[2-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]ethoxy]propanoic acid

C26H30N2O6 — CID 178192983

IUPAC3-[2-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]ethoxy]propanoic acid
SMILESO=C(O)CCOCCNC(=O)[C@H]1CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C26H30N2O6/c29-24(30)11-13-33-14-12-27-25(31)17-9-10-18(15-17)28-26(32)34-16-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-8,17-18,23H,9-16H2,(H,27,31)(H,28,32)(H,29,30)/t17-,18+/m0/s1
InChIKeySHIPVAXNSBFUKV-ZWKOTPCHSA-N
MW466.53 g/mol
LogP3.30
Rot. Bonds10

About 3-[2-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]ethoxy]propanoic acid

3-[2-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]ethoxy]propanoic acid (PubChem CID 178192983) has the molecular formula C26H30N2O6 and a molecular weight of 466.53 g/mol. Its IUPAC name is 3-[2-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]ethoxy]propanoic acid.

Molecular Properties

Compound Name3-[2-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]ethoxy]propanoic acid
PubChem CID178192983
Molecular FormulaC26H30N2O6
Molecular Weight466.53 g/mol
Exact Mass466.21
IUPAC Name3-[2-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]ethoxy]propanoic acid
SMILESO=C(O)CCOCCNC(=O)[C@H]1CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C26H30N2O6/c29-24(30)11-13-33-14-12-27-25(31)17-9-10-18(15-17)28-26(32)34-16-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-8,17-18,23H,9-16H2,(H,27,31)(H,28,32)(H,29,30)/t17-,18+/m0/s1
InChIKeySHIPVAXNSBFUKV-ZWKOTPCHSA-N
XLogP3.30
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]ethoxy]propanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(3R)-3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]butanoic acid
CID 178192127
3-[2-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopentanecarbonyl]amino]ethoxy]propanoic acid
CID 178199406
2-[2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]ethoxy]acetic acid
CID 178192454
2-(cyclopropylmethyl)-3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]propanoic acid
CID 178192101
5-[[(1R,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 165447210
cis-(1S,2R)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 178199251
3-[2-[2-[[2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]ethoxy]ethoxy]propanoic acid
CID 170354249
3-[2-[2-[[(2S)-2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]ethoxy]ethoxy]propanoic acid
CID 170354243
9H-fluoren-9-ylmethyl N-[(1S,3R)-3-(bromomethyl)cyclopentyl]carbamate
CID 167727172
(2S)-2-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]-3-methylpentanoic acid
CID 178191178
6-[3-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]propanoylamino]hexanoic acid
CID 154704999
3-[[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexanecarbonyl]amino]methyl]pentanoic acid
CID 178193936

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]ethoxy]propanoic acid?
The IUPAC name of 3-[2-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]ethoxy]propanoic acid (CID 178192983) is 3-[2-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]ethoxy]propanoic acid.
What is the SMILES notation for 3-[2-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]ethoxy]propanoic acid?
The canonical SMILES for 3-[2-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]ethoxy]propanoic acid is O=C(O)CCOCCNC(=O)[C@H]1CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1.
What is the InChIKey of 3-[2-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]ethoxy]propanoic acid?
The InChIKey is SHIPVAXNSBFUKV-ZWKOTPCHSA-N. The full InChI is InChI=1S/C26H30N2O6/c29-24(30)11-13-33-14-12-27-25(31)17-9-10-18(15-17)28-26(32)34-16-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-8,17-18,23H,9-16H2,(H,27,31)(H,28,32)(H,29,30)/t17-,18+/m0/s1.
What are the key properties of 3-[2-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]ethoxy]propanoic acid?
3-[2-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]ethoxy]propanoic acid has a molecular weight of 466.53 g/mol, XLogP of 3.30, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]ethoxy]propanoic acid is sourced from PubChem (CID 178192983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).