2-[(4-aminocyclohexanecarbonyl)amino]-2-cyclopropylpropanoic acid

C13H22N2O3 — CID 61162345

IUPAC2-[(4-aminocyclohexanecarbonyl)amino]-2-cyclopropylpropanoic acid
SMILESCC(NC(=O)C1CCC(N)CC1)(C(=O)O)C1CC1
InChIInChI=1S/C13H22N2O3/c1-13(12(17)18,9-4-5-9)15-11(16)8-2-6-10(14)7-3-8/h8-10H,2-7,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyRVBSQTBSGZCDRH-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.87
Rot. Bonds4

About 2-[(4-aminocyclohexanecarbonyl)amino]-2-cyclopropylpropanoic acid

2-[(4-aminocyclohexanecarbonyl)amino]-2-cyclopropylpropanoic acid (PubChem CID 61162345) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[(4-aminocyclohexanecarbonyl)amino]-2-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-[(4-aminocyclohexanecarbonyl)amino]-2-cyclopropylpropanoic acid
PubChem CID61162345
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[(4-aminocyclohexanecarbonyl)amino]-2-cyclopropylpropanoic acid
SMILESCC(NC(=O)C1CCC(N)CC1)(C(=O)O)C1CC1
InChIInChI=1S/C13H22N2O3/c1-13(12(17)18,9-4-5-9)15-11(16)8-2-6-10(14)7-3-8/h8-10H,2-7,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyRVBSQTBSGZCDRH-UHFFFAOYSA-N
XLogP0.87
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentanecarbonylamino)-2-cyclopropylpropanoic acid
CID 43163071
2-[(4-butylcyclohexanecarbonyl)amino]-2-cyclopropylpropanoic acid
CID 43341292
4-amino-N-tert-butylcyclohexane-1-carboxamide;hydrochloride
CID 91668524
2-cyclopropyl-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid
CID 106739615
2-cyclopropyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 79389266
(2R)-2-amino-2-(4-aminocyclohexyl)propanoic acid
CID 67723227
2-cyclopropyl-2-[(3-methyloxane-4-carbonyl)amino]propanoic acid
CID 114240910
2-cyclopropyl-2-[(5-methyloxolane-2-carbonyl)amino]propanoic acid
CID 81324373
2-cyclopropyl-2-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 43172528
3-(cyclopropanecarbonylamino)-2,2,3-trimethylbutanoic acid
CID 65261547
2-[3-(cyclopentanecarbonylamino)propanoylamino]-2-cyclopropylpropanoic acid
CID 43172564
2-cyclopropyl-2-[(2,2-difluoroacetyl)amino]propanoic acid
CID 103513145

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohexanecarbonyl)amino]-2-cyclopropylpropanoic acid?
The IUPAC name of 2-[(4-aminocyclohexanecarbonyl)amino]-2-cyclopropylpropanoic acid (CID 61162345) is 2-[(4-aminocyclohexanecarbonyl)amino]-2-cyclopropylpropanoic acid.
What is the SMILES notation for 2-[(4-aminocyclohexanecarbonyl)amino]-2-cyclopropylpropanoic acid?
The canonical SMILES for 2-[(4-aminocyclohexanecarbonyl)amino]-2-cyclopropylpropanoic acid is CC(NC(=O)C1CCC(N)CC1)(C(=O)O)C1CC1.
What is the InChIKey of 2-[(4-aminocyclohexanecarbonyl)amino]-2-cyclopropylpropanoic acid?
The InChIKey is RVBSQTBSGZCDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-13(12(17)18,9-4-5-9)15-11(16)8-2-6-10(14)7-3-8/h8-10H,2-7,14H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(4-aminocyclohexanecarbonyl)amino]-2-cyclopropylpropanoic acid?
2-[(4-aminocyclohexanecarbonyl)amino]-2-cyclopropylpropanoic acid has a molecular weight of 254.33 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclohexanecarbonyl)amino]-2-cyclopropylpropanoic acid is sourced from PubChem (CID 61162345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).