1-[2-(cyclohexylcarbamoylamino)acetyl]pyrrolidine-3-carboxylic acid

C14H23N3O4 — CID 119354365

IUPAC1-[2-(cyclohexylcarbamoylamino)acetyl]pyrrolidine-3-carboxylic acid
SMILESO=C(NCC(=O)N1CCC(C(=O)O)C1)NC1CCCCC1
InChIInChI=1S/C14H23N3O4/c18-12(17-7-6-10(9-17)13(19)20)8-15-14(21)16-11-4-2-1-3-5-11/h10-11H,1-9H2,(H,19,20)(H2,15,16,21)
InChIKeyRCKZMYXNPVTGQT-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.55
Rot. Bonds4

About 1-[2-(cyclohexylcarbamoylamino)acetyl]pyrrolidine-3-carboxylic acid

1-[2-(cyclohexylcarbamoylamino)acetyl]pyrrolidine-3-carboxylic acid (PubChem CID 119354365) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-[2-(cyclohexylcarbamoylamino)acetyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(cyclohexylcarbamoylamino)acetyl]pyrrolidine-3-carboxylic acid
PubChem CID119354365
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name1-[2-(cyclohexylcarbamoylamino)acetyl]pyrrolidine-3-carboxylic acid
SMILESO=C(NCC(=O)N1CCC(C(=O)O)C1)NC1CCCCC1
InChIInChI=1S/C14H23N3O4/c18-12(17-7-6-10(9-17)13(19)20)8-15-14(21)16-11-4-2-1-3-5-11/h10-11H,1-9H2,(H,19,20)(H2,15,16,21)
InChIKeyRCKZMYXNPVTGQT-UHFFFAOYSA-N
XLogP0.55
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(cyclohexylcarbamoylamino)butanoyl]pyrrolidine-3-carboxylic acid
CID 119354504
1-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3-cyclohexylurea
CID 119412871
1-cyclobutyl-3-(2-oxo-2-piperidin-1-ylethyl)urea
CID 84515833
1-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)urea
CID 47277900
1-[2-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]-3-cyclohexylurea
CID 99776111
1-[2-(cyclopentylamino)acetyl]piperidine-3-carboxylic acid
CID 61156810
1-cyclohexyl-3-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]urea
CID 112991840
1-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-3-cyclohexylurea;hydrochloride
CID 120659500
1-[2-[(4-chlorophenyl)methylcarbamoylamino]acetyl]pyrrolidine-3-carboxylic acid
CID 119354501
1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-3-cyclohexylurea;hydrochloride
CID 119664203
1-[2-(3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-cycloheptylurea
CID 66794822
N-cyclohexyl-2-(cyclopentylcarbamoylamino)acetamide
CID 84516190

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexylcarbamoylamino)acetyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(cyclohexylcarbamoylamino)acetyl]pyrrolidine-3-carboxylic acid (CID 119354365) is 1-[2-(cyclohexylcarbamoylamino)acetyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(cyclohexylcarbamoylamino)acetyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(cyclohexylcarbamoylamino)acetyl]pyrrolidine-3-carboxylic acid is O=C(NCC(=O)N1CCC(C(=O)O)C1)NC1CCCCC1.
What is the InChIKey of 1-[2-(cyclohexylcarbamoylamino)acetyl]pyrrolidine-3-carboxylic acid?
The InChIKey is RCKZMYXNPVTGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c18-12(17-7-6-10(9-17)13(19)20)8-15-14(21)16-11-4-2-1-3-5-11/h10-11H,1-9H2,(H,19,20)(H2,15,16,21).
What are the key properties of 1-[2-(cyclohexylcarbamoylamino)acetyl]pyrrolidine-3-carboxylic acid?
1-[2-(cyclohexylcarbamoylamino)acetyl]pyrrolidine-3-carboxylic acid has a molecular weight of 297.36 g/mol, XLogP of 0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexylcarbamoylamino)acetyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119354365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).