2-[1-[3-(propan-2-ylamino)propanoylamino]cyclopentyl]acetic acid

C13H24N2O3 — CID 64702277

IUPAC2-[1-[3-(propan-2-ylamino)propanoylamino]cyclopentyl]acetic acid
SMILESCC(C)NCCC(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C13H24N2O3/c1-10(2)14-8-5-11(16)15-13(9-12(17)18)6-3-4-7-13/h10,14H,3-9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeySTJHYBKGSUAJNM-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.28
Rot. Bonds7

About 2-[1-[3-(propan-2-ylamino)propanoylamino]cyclopentyl]acetic acid

2-[1-[3-(propan-2-ylamino)propanoylamino]cyclopentyl]acetic acid (PubChem CID 64702277) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[1-[3-(propan-2-ylamino)propanoylamino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(propan-2-ylamino)propanoylamino]cyclopentyl]acetic acid
PubChem CID64702277
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[1-[3-(propan-2-ylamino)propanoylamino]cyclopentyl]acetic acid
SMILESCC(C)NCCC(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C13H24N2O3/c1-10(2)14-8-5-11(16)15-13(9-12(17)18)6-3-4-7-13/h10,14H,3-9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeySTJHYBKGSUAJNM-UHFFFAOYSA-N
XLogP1.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[4-(methylamino)butanoylamino]cyclopentyl]acetic acid
CID 64702109
2-[1-(3-methylsulfanylpropanoylamino)cyclohexyl]acetic acid
CID 64671361
1-[3-(propan-2-ylamino)propanoylamino]cyclopentane-1-carboxylic acid
CID 61160411
2-[1-(3-methoxypropanoylamino)cyclohexyl]acetic acid
CID 64672330
2-[1-(3-methylpentanoylamino)cyclopentyl]acetic acid
CID 114873756
2-[1-[3-(2,2-dimethylpropanoylamino)propanoylamino]cyclobutyl]acetic acid
CID 79849178
2-[1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclopentyl]acetic acid
CID 64671418
2-[1-[(2-methylsulfanylacetyl)amino]cyclohexyl]acetic acid
CID 64671362
2-[1-[(4-amino-3-methylbutanoyl)amino]cyclohexyl]acetic acid
CID 81080778
2-[1-[(4-amino-4-methylpentanoyl)amino]cyclopentyl]acetic acid
CID 64702299
2-[1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentyl]acetic acid
CID 65241615
2-[1-(hexanoylamino)cyclobutyl]acetic acid
CID 79848224

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(propan-2-ylamino)propanoylamino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[3-(propan-2-ylamino)propanoylamino]cyclopentyl]acetic acid (CID 64702277) is 2-[1-[3-(propan-2-ylamino)propanoylamino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[3-(propan-2-ylamino)propanoylamino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[3-(propan-2-ylamino)propanoylamino]cyclopentyl]acetic acid is CC(C)NCCC(=O)NC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[3-(propan-2-ylamino)propanoylamino]cyclopentyl]acetic acid?
The InChIKey is STJHYBKGSUAJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(2)14-8-5-11(16)15-13(9-12(17)18)6-3-4-7-13/h10,14H,3-9H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[1-[3-(propan-2-ylamino)propanoylamino]cyclopentyl]acetic acid?
2-[1-[3-(propan-2-ylamino)propanoylamino]cyclopentyl]acetic acid has a molecular weight of 256.35 g/mol, XLogP of 1.28, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(propan-2-ylamino)propanoylamino]cyclopentyl]acetic acid is sourced from PubChem (CID 64702277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).