1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-3-hydroxypyrrolidine-3-carboxylic acid

C26H30N2O6 — CID 165453997

IUPAC1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-3-hydroxypyrrolidine-3-carboxylic acid
SMILESCC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(O)(C(=O)O)C1
InChIInChI=1S/C26H30N2O6/c1-16(2)13-22(23(29)28-12-11-26(33,15-28)24(30)31)27-25(32)34-14-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-10,16,21-22,33H,11-15H2,1-2H3,(H,27,32)(H,30,31)/t22-,26?/m0/s1
InChIKeyVXYHMIRLZSCHFB-CHQVSRGASA-N
MW466.53 g/mol
LogP2.99
Rot. Bonds7

About 1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-3-hydroxypyrrolidine-3-carboxylic acid

1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-3-hydroxypyrrolidine-3-carboxylic acid (PubChem CID 165453997) has the molecular formula C26H30N2O6 and a molecular weight of 466.53 g/mol. Its IUPAC name is 1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-3-hydroxypyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-3-hydroxypyrrolidine-3-carboxylic acid
PubChem CID165453997
Molecular FormulaC26H30N2O6
Molecular Weight466.53 g/mol
Exact Mass466.21
IUPAC Name1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-3-hydroxypyrrolidine-3-carboxylic acid
SMILESCC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(O)(C(=O)O)C1
InChIInChI=1S/C26H30N2O6/c1-16(2)13-22(23(29)28-12-11-26(33,15-28)24(30)31)27-25(32)34-14-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-10,16,21-22,33H,11-15H2,1-2H3,(H,27,32)(H,30,31)/t22-,26?/m0/s1
InChIKeyVXYHMIRLZSCHFB-CHQVSRGASA-N
XLogP2.99
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-3-hydroxypyrrolidine-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

9H-fluoren-9-ylmethyl N-[(2R)-1-chloro-4-methyl-1-oxopentan-2-yl]carbamate
CID 56777281
(2R,4R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-2-methylpiperidine-4-carboxylic acid
CID 178192014
(4R)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid
CID 75409993
3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-pyrrolidin-1-ylbutanoic acid
CID 156691470
9H-fluoren-9-ylmethyl N-[1-(benzotriazol-1-yl)-4-methyl-1-oxopentan-2-yl]carbamate
CID 74318420
(3R,4R)-1-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]-3,4-dimethylpyrrolidine-3-carboxylic acid
CID 178191337
9H-fluoren-9-ylmethyl N-[(2S)-4-(4,4-difluoropiperidin-1-yl)-4-oxobutan-2-yl]carbamate
CID 175170385
(3aS,6aS)-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 178192696
(3R,4R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylsulfanylbutanoyl]-3,4-dimethylpyrrolidine-3-carboxylic acid
CID 178193214
(3R,4R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoyl]-3,4-dimethylpyrrolidine-3-carboxylic acid
CID 178198526
(2S)-2-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-4-methylpentanoyl]amino]propanoic acid
CID 22943221
(2S,4S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4,5-dimethylhexanoic acid
CID 10714874

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-3-hydroxypyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-3-hydroxypyrrolidine-3-carboxylic acid (CID 165453997) is 1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-3-hydroxypyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-3-hydroxypyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-3-hydroxypyrrolidine-3-carboxylic acid is CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(O)(C(=O)O)C1.
What is the InChIKey of 1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-3-hydroxypyrrolidine-3-carboxylic acid?
The InChIKey is VXYHMIRLZSCHFB-CHQVSRGASA-N. The full InChI is InChI=1S/C26H30N2O6/c1-16(2)13-22(23(29)28-12-11-26(33,15-28)24(30)31)27-25(32)34-14-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-10,16,21-22,33H,11-15H2,1-2H3,(H,27,32)(H,30,31)/t22-,26?/m0/s1.
What are the key properties of 1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-3-hydroxypyrrolidine-3-carboxylic acid?
1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-3-hydroxypyrrolidine-3-carboxylic acid has a molecular weight of 466.53 g/mol, XLogP of 2.99, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-3-hydroxypyrrolidine-3-carboxylic acid is sourced from PubChem (CID 165453997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).