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

C13H22N2O4 — CID 55105354

IUPAC3-[3-(cyclopentanecarbonylamino)propanoylamino]-2-methylpropanoic acid
SMILESCC(CNC(=O)CCNC(=O)C1CCCC1)C(=O)O
InChIInChI=1S/C13H22N2O4/c1-9(13(18)19)8-15-11(16)6-7-14-12(17)10-4-2-3-5-10/h9-10H,2-8H2,1H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyNSOCPNVCMFAFOT-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.52
Rot. Bonds7

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

3-[3-(cyclopentanecarbonylamino)propanoylamino]-2-methylpropanoic acid (PubChem CID 55105354) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-[3-(cyclopentanecarbonylamino)propanoylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[3-(cyclopentanecarbonylamino)propanoylamino]-2-methylpropanoic acid
PubChem CID55105354
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name3-[3-(cyclopentanecarbonylamino)propanoylamino]-2-methylpropanoic acid
SMILESCC(CNC(=O)CCNC(=O)C1CCCC1)C(=O)O
InChIInChI=1S/C13H22N2O4/c1-9(13(18)19)8-15-11(16)6-7-14-12(17)10-4-2-3-5-10/h9-10H,2-8H2,1H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyNSOCPNVCMFAFOT-UHFFFAOYSA-N
XLogP0.52
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-hydroxypropylamino)-3-oxopropyl]cyclopentanecarboxamide
CID 43428011
4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid
CID 81062987
2-[[3-(cyclopentanecarbonylamino)propanoylamino]methyl]pentanoic acid
CID 65219035
N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclopentanecarboxamide
CID 103771616
2-[3-(cyclopentanecarbonylamino)propanoylamino]-4-methylpentanoic acid
CID 43170171
2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid
CID 43354069
4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxybutanoic acid
CID 103152614
4-(cyclobutanecarbonylamino)-2-methylbutanoic acid
CID 80538268
2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxypropanoic acid
CID 81076784
N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide
CID 111461401
N-(3-hydrazinyl-3-oxopropyl)cyclopentanecarboxamide
CID 43348493
3-[3-(ethylamino)propanoylamino]-2-methylpropanoic acid
CID 62836532

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopentanecarbonylamino)propanoylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[3-(cyclopentanecarbonylamino)propanoylamino]-2-methylpropanoic acid (CID 55105354) is 3-[3-(cyclopentanecarbonylamino)propanoylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[3-(cyclopentanecarbonylamino)propanoylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[3-(cyclopentanecarbonylamino)propanoylamino]-2-methylpropanoic acid is CC(CNC(=O)CCNC(=O)C1CCCC1)C(=O)O.
What is the InChIKey of 3-[3-(cyclopentanecarbonylamino)propanoylamino]-2-methylpropanoic acid?
The InChIKey is NSOCPNVCMFAFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-9(13(18)19)8-15-11(16)6-7-14-12(17)10-4-2-3-5-10/h9-10H,2-8H2,1H3,(H,14,17)(H,15,16)(H,18,19).
What are the key properties of 3-[3-(cyclopentanecarbonylamino)propanoylamino]-2-methylpropanoic acid?
3-[3-(cyclopentanecarbonylamino)propanoylamino]-2-methylpropanoic acid has a molecular weight of 270.33 g/mol, XLogP of 0.52, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopentanecarbonylamino)propanoylamino]-2-methylpropanoic acid is sourced from PubChem (CID 55105354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).