2-[[2-(cyclohexanecarbonylamino)acetyl]-cyclopropylamino]propanoic acid

C15H24N2O4 — CID 122067006

IUPAC2-[[2-(cyclohexanecarbonylamino)acetyl]-cyclopropylamino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)CNC(=O)C1CCCCC1)C1CC1
InChIInChI=1S/C15H24N2O4/c1-10(15(20)21)17(12-7-8-12)13(18)9-16-14(19)11-5-3-2-4-6-11/h10-12H,2-9H2,1H3,(H,16,19)(H,20,21)
InChIKeyYIXJIPFRJGWWPA-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.15
Rot. Bonds6

About 2-[[2-(cyclohexanecarbonylamino)acetyl]-cyclopropylamino]propanoic acid

2-[[2-(cyclohexanecarbonylamino)acetyl]-cyclopropylamino]propanoic acid (PubChem CID 122067006) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[[2-(cyclohexanecarbonylamino)acetyl]-cyclopropylamino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(cyclohexanecarbonylamino)acetyl]-cyclopropylamino]propanoic acid
PubChem CID122067006
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[[2-(cyclohexanecarbonylamino)acetyl]-cyclopropylamino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)CNC(=O)C1CCCCC1)C1CC1
InChIInChI=1S/C15H24N2O4/c1-10(15(20)21)17(12-7-8-12)13(18)9-16-14(19)11-5-3-2-4-6-11/h10-12H,2-9H2,1H3,(H,16,19)(H,20,21)
InChIKeyYIXJIPFRJGWWPA-UHFFFAOYSA-N
XLogP1.15
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-oxoethyl]cyclopentanecarboxamide
CID 39969864
N-(2-oxopropyl)cycloheptanecarboxamide
CID 64996887
2-[(2-cyclopentyloxyacetyl)-cyclopropylamino]propanoic acid
CID 119202432
2-[(2-cyclopentylsulfonylacetyl)-cyclopropylamino]propanoic acid
CID 119203343
N-(2-methylpropyl)cyclooctanecarboxamide
CID 65022959
2-[cyclopropyl(4-methylpentanoyl)amino]propanoic acid
CID 119202197
2-[cyclopropyl-(2-methylsulfanylacetyl)amino]propanoic acid
CID 119202509
N-(3-methyl-2-oxobutyl)cyclobutanecarboxamide
CID 64996921
2-[cyclopropyl-[2-[(3-fluorobenzoyl)amino]acetyl]amino]propanoic acid
CID 120519342
propan-2-yl 2-(cyclopentanecarbonylamino)acetate
CID 56808767
N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 24554571
N-[2-(3-methylbutylamino)-2-oxoethyl]cyclohexanecarboxamide
CID 112995138

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclohexanecarbonylamino)acetyl]-cyclopropylamino]propanoic acid?
The IUPAC name of 2-[[2-(cyclohexanecarbonylamino)acetyl]-cyclopropylamino]propanoic acid (CID 122067006) is 2-[[2-(cyclohexanecarbonylamino)acetyl]-cyclopropylamino]propanoic acid.
What is the SMILES notation for 2-[[2-(cyclohexanecarbonylamino)acetyl]-cyclopropylamino]propanoic acid?
The canonical SMILES for 2-[[2-(cyclohexanecarbonylamino)acetyl]-cyclopropylamino]propanoic acid is CC(C(=O)O)N(C(=O)CNC(=O)C1CCCCC1)C1CC1.
What is the InChIKey of 2-[[2-(cyclohexanecarbonylamino)acetyl]-cyclopropylamino]propanoic acid?
The InChIKey is YIXJIPFRJGWWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-10(15(20)21)17(12-7-8-12)13(18)9-16-14(19)11-5-3-2-4-6-11/h10-12H,2-9H2,1H3,(H,16,19)(H,20,21).
What are the key properties of 2-[[2-(cyclohexanecarbonylamino)acetyl]-cyclopropylamino]propanoic acid?
2-[[2-(cyclohexanecarbonylamino)acetyl]-cyclopropylamino]propanoic acid has a molecular weight of 296.37 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclohexanecarbonylamino)acetyl]-cyclopropylamino]propanoic acid is sourced from PubChem (CID 122067006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).