(2R)-1-[3-(cyclohexanecarbonylamino)butanoyl]pyrrolidine-2-carboxylic acid

C16H26N2O4 — CID 119371105

IUPAC(2R)-1-[3-(cyclohexanecarbonylamino)butanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(CC(=O)N1CCC[C@@H]1C(=O)O)NC(=O)C1CCCCC1
InChIInChI=1S/C16H26N2O4/c1-11(17-15(20)12-6-3-2-4-7-12)10-14(19)18-9-5-8-13(18)16(21)22/h11-13H,2-10H2,1H3,(H,17,20)(H,21,22)/t11?,13-/m1/s1
InChIKeyZQBWJAPCRRZVFJ-GLGOKHISSA-N
MW310.39 g/mol
LogP1.54
Rot. Bonds5

About (2R)-1-[3-(cyclohexanecarbonylamino)butanoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[3-(cyclohexanecarbonylamino)butanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 119371105) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is (2R)-1-[3-(cyclohexanecarbonylamino)butanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[3-(cyclohexanecarbonylamino)butanoyl]pyrrolidine-2-carboxylic acid
PubChem CID119371105
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name(2R)-1-[3-(cyclohexanecarbonylamino)butanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(CC(=O)N1CCC[C@@H]1C(=O)O)NC(=O)C1CCCCC1
InChIInChI=1S/C16H26N2O4/c1-11(17-15(20)12-6-3-2-4-7-12)10-14(19)18-9-5-8-13(18)16(21)22/h11-13H,2-10H2,1H3,(H,17,20)(H,21,22)/t11?,13-/m1/s1
InChIKeyZQBWJAPCRRZVFJ-GLGOKHISSA-N
XLogP1.54
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(aminomethyl)pyrrolidin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 119634132
N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119466885
(2S)-1-[3-(ethylamino)butanoyl]piperidine-2-carboxylic acid
CID 66263250
N-[4-[2-(1-aminoethyl)piperidin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide;hydrochloride
CID 119437270
(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 10535993
(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508
1-(3-aminobutanoyl)piperidine-2-carboxylic acid
CID 61156814
1-(3-hydroxybutanoyl)pyrrolidine-2-carboxylic acid
CID 139391002
(2R)-1-[2-(1-carboxypropan-2-ylamino)-2-oxoacetyl]piperidine-2-carboxylic acid
CID 79034849
3-[(1-butanoylpiperidine-2-carbonyl)amino]butanoic acid
CID 119221180
N-[4-(4-aminopiperidin-1-yl)-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119373643
(3S,4S)-1-[3-(cyclohexanecarbonylamino)butanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122112440

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(cyclohexanecarbonylamino)butanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[3-(cyclohexanecarbonylamino)butanoyl]pyrrolidine-2-carboxylic acid (CID 119371105) is (2R)-1-[3-(cyclohexanecarbonylamino)butanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[3-(cyclohexanecarbonylamino)butanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[3-(cyclohexanecarbonylamino)butanoyl]pyrrolidine-2-carboxylic acid is CC(CC(=O)N1CCC[C@@H]1C(=O)O)NC(=O)C1CCCCC1.
What is the InChIKey of (2R)-1-[3-(cyclohexanecarbonylamino)butanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is ZQBWJAPCRRZVFJ-GLGOKHISSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-11(17-15(20)12-6-3-2-4-7-12)10-14(19)18-9-5-8-13(18)16(21)22/h11-13H,2-10H2,1H3,(H,17,20)(H,21,22)/t11?,13-/m1/s1.
What are the key properties of (2R)-1-[3-(cyclohexanecarbonylamino)butanoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[3-(cyclohexanecarbonylamino)butanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 310.39 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(cyclohexanecarbonylamino)butanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119371105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).