cis-(1R,2S)-2-[(2-amino-2-oxoethyl)-(2-cyclohexylethyl)carbamoyl]cyclopropane-1-carboxylic acid

C15H24N2O4 — CID 125151502

IUPACcis-(1R,2S)-2-[(2-amino-2-oxoethyl)-(2-cyclohexylethyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESNC(=O)CN(CCC1CCCCC1)C(=O)[C@H]1C[C@H]1C(=O)O
InChIInChI=1S/C15H24N2O4/c16-13(18)9-17(7-6-10-4-2-1-3-5-10)14(19)11-8-12(11)15(20)21/h10-12H,1-9H2,(H2,16,18)(H,20,21)/t11-,12+/m0/s1
InChIKeyJUKGDYATSLVSAW-NWDGAFQWSA-N
MW296.37 g/mol
LogP0.99
Rot. Bonds7

About cis-(1R,2S)-2-[(2-amino-2-oxoethyl)-(2-cyclohexylethyl)carbamoyl]cyclopropane-1-carboxylic acid

cis-(1R,2S)-2-[(2-amino-2-oxoethyl)-(2-cyclohexylethyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 125151502) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(2-amino-2-oxoethyl)-(2-cyclohexylethyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(2-amino-2-oxoethyl)-(2-cyclohexylethyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID125151502
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Namecis-(1R,2S)-2-[(2-amino-2-oxoethyl)-(2-cyclohexylethyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESNC(=O)CN(CCC1CCCCC1)C(=O)[C@H]1C[C@H]1C(=O)O
InChIInChI=1S/C15H24N2O4/c16-13(18)9-17(7-6-10-4-2-1-3-5-10)14(19)11-8-12(11)15(20)21/h10-12H,1-9H2,(H2,16,18)(H,20,21)/t11-,12+/m0/s1
InChIKeyJUKGDYATSLVSAW-NWDGAFQWSA-N
XLogP0.99
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1R,2S)-2-[(2-amino-2-oxoethyl)-(2-cyclohexylethyl)carbamoyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

3-amino-N-(2-amino-2-oxoethyl)-N-(2-cyclohexylethyl)butanamide
CID 119766445
N-(2-amino-2-oxoethyl)-N-(2-cyclohexylethyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111537757
cis-(1S,2R)-2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 93344016
2-[2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(3-cyclononylpropyl)amino]acetic acid
CID 126603056
2-(dicyclohexylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60790595
2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylcyclohexane-1-carboxamide
CID 62921617
2-[methyl-[2-(1-methylpiperidin-3-yl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 115165465
cis-(1S,2R)-2-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 93378256
2-[2-cyclopentylethyl(piperidin-4-yl)amino]acetamide
CID 114191603
N,N-bis(2-amino-2-oxoethyl)-4-methylpiperidine-2-carboxamide
CID 114423960
N-(2-amino-2-oxoethyl)-4-bromo-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide
CID 86878992
2-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60948916

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(2-amino-2-oxoethyl)-(2-cyclohexylethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-[(2-amino-2-oxoethyl)-(2-cyclohexylethyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 125151502) is cis-(1R,2S)-2-[(2-amino-2-oxoethyl)-(2-cyclohexylethyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-[(2-amino-2-oxoethyl)-(2-cyclohexylethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-[(2-amino-2-oxoethyl)-(2-cyclohexylethyl)carbamoyl]cyclopropane-1-carboxylic acid is NC(=O)CN(CCC1CCCCC1)C(=O)[C@H]1C[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2S)-2-[(2-amino-2-oxoethyl)-(2-cyclohexylethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is JUKGDYATSLVSAW-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H24N2O4/c16-13(18)9-17(7-6-10-4-2-1-3-5-10)14(19)11-8-12(11)15(20)21/h10-12H,1-9H2,(H2,16,18)(H,20,21)/t11-,12+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(2-amino-2-oxoethyl)-(2-cyclohexylethyl)carbamoyl]cyclopropane-1-carboxylic acid?
cis-(1R,2S)-2-[(2-amino-2-oxoethyl)-(2-cyclohexylethyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(2-amino-2-oxoethyl)-(2-cyclohexylethyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 125151502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).