2-[3-(cyclopentanecarbonylamino)propanoylamino]-2-cyclopropylpropanoic acid

C15H24N2O4 — CID 43172564

IUPAC2-[3-(cyclopentanecarbonylamino)propanoylamino]-2-cyclopropylpropanoic acid
SMILESCC(NC(=O)CCNC(=O)C1CCCC1)(C(=O)O)C1CC1
InChIInChI=1S/C15H24N2O4/c1-15(14(20)21,11-6-7-11)17-12(18)8-9-16-13(19)10-4-2-3-5-10/h10-11H,2-9H2,1H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyAACFICUJERWKHD-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.05
Rot. Bonds7

About 2-[3-(cyclopentanecarbonylamino)propanoylamino]-2-cyclopropylpropanoic acid

2-[3-(cyclopentanecarbonylamino)propanoylamino]-2-cyclopropylpropanoic acid (PubChem CID 43172564) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[3-(cyclopentanecarbonylamino)propanoylamino]-2-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-[3-(cyclopentanecarbonylamino)propanoylamino]-2-cyclopropylpropanoic acid
PubChem CID43172564
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[3-(cyclopentanecarbonylamino)propanoylamino]-2-cyclopropylpropanoic acid
SMILESCC(NC(=O)CCNC(=O)C1CCCC1)(C(=O)O)C1CC1
InChIInChI=1S/C15H24N2O4/c1-15(14(20)21,11-6-7-11)17-12(18)8-9-16-13(19)10-4-2-3-5-10/h10-11H,2-9H2,1H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyAACFICUJERWKHD-UHFFFAOYSA-N
XLogP1.05
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentanecarbonylamino)-2-cyclopropylpropanoic acid
CID 43163071
2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]propanoic acid
CID 103995660
2-cyclopropyl-2-[4-(methylamino)butanoylamino]propanoic acid
CID 61161764
2-cyclopropyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 103994420
2-(4-aminobutanoylamino)-2-cyclopropylpropanoic acid
CID 61159841
N-(3-hydrazinyl-3-oxopropyl)cyclopentanecarboxamide
CID 43348493
2-cyclopropyl-2-[3-(furan-2-carbonylamino)propanoylamino]propanoic acid
CID 43360356
4-(cyclooctanecarbonylamino)-2,2-dimethylbutanoic acid
CID 114285462
N-[3-(3-cyclohexylpropylamino)-3-oxopropyl]cyclohexanecarboxamide
CID 86877893
4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid
CID 81062987
2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]propanoic acid
CID 61161568
2-(2-aminoethylcarbamoylamino)-2-cyclopropylpropanoic acid
CID 61402734

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopentanecarbonylamino)propanoylamino]-2-cyclopropylpropanoic acid?
The IUPAC name of 2-[3-(cyclopentanecarbonylamino)propanoylamino]-2-cyclopropylpropanoic acid (CID 43172564) is 2-[3-(cyclopentanecarbonylamino)propanoylamino]-2-cyclopropylpropanoic acid.
What is the SMILES notation for 2-[3-(cyclopentanecarbonylamino)propanoylamino]-2-cyclopropylpropanoic acid?
The canonical SMILES for 2-[3-(cyclopentanecarbonylamino)propanoylamino]-2-cyclopropylpropanoic acid is CC(NC(=O)CCNC(=O)C1CCCC1)(C(=O)O)C1CC1.
What is the InChIKey of 2-[3-(cyclopentanecarbonylamino)propanoylamino]-2-cyclopropylpropanoic acid?
The InChIKey is AACFICUJERWKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-15(14(20)21,11-6-7-11)17-12(18)8-9-16-13(19)10-4-2-3-5-10/h10-11H,2-9H2,1H3,(H,16,19)(H,17,18)(H,20,21).
What are the key properties of 2-[3-(cyclopentanecarbonylamino)propanoylamino]-2-cyclopropylpropanoic acid?
2-[3-(cyclopentanecarbonylamino)propanoylamino]-2-cyclopropylpropanoic acid has a molecular weight of 296.37 g/mol, XLogP of 1.05, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopentanecarbonylamino)propanoylamino]-2-cyclopropylpropanoic acid is sourced from PubChem (CID 43172564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).