5-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoic acid

C13H24N2O3 — CID 82689279

IUPAC5-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)CNC1CCCC1
InChIInChI=1S/C13H24N2O3/c1-10(6-7-13(17)18)8-15-12(16)9-14-11-4-2-3-5-11/h10-11,14H,2-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyJKELXYRIGIQZNP-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.14
Rot. Bonds8

About 5-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoic acid

5-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoic acid (PubChem CID 82689279) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoic acid
PubChem CID82689279
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name5-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)CNC1CCCC1
InChIInChI=1S/C13H24N2O3/c1-10(6-7-13(17)18)8-15-12(16)9-14-11-4-2-3-5-11/h10-11,14H,2-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyJKELXYRIGIQZNP-UHFFFAOYSA-N
XLogP1.14
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cyclohexylamino)-4-methylpentanoic acid
CID 82933568
5-(cyclohexylcarbamoylamino)-4-methylpentanoic acid
CID 82684243
2-[[[2-(cyclopentylamino)acetyl]amino]methyl]-3-methylbutanoic acid
CID 65224280
(3S)-3-[[[2-(cyclopentylamino)acetyl]amino]methyl]-5-methylhexanoic acid
CID 65493498
2-(cyclopentylamino)-N-(2,3,3-trimethylbutyl)acetamide
CID 83142014
2-[[2-(cyclopentylamino)acetyl]amino]acetic acid
CID 61158187
2-(cyclopropylamino)-N-(2-methyl-3-methylsulfanylpropyl)acetamide
CID 63960182
5-(cyclopropanecarbonylamino)-4-methylpentanoic acid
CID 82010371
5-[(3-amino-3-cyclopropylpropanoyl)amino]-4-methylpentanoic acid
CID 82689472
N-[2-[[2-(cyclopentylamino)acetyl]amino]ethyl]-2-methylpropanamide
CID 61248306
2-(cyclobutylamino)-N-(3-methylbutyl)acetamide
CID 62414172
2-(cyclopentylamino)-N-(2,2,3-trimethylbutyl)acetamide
CID 114100118

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoic acid?
The IUPAC name of 5-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoic acid (CID 82689279) is 5-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoic acid is CC(CCC(=O)O)CNC(=O)CNC1CCCC1.
What is the InChIKey of 5-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoic acid?
The InChIKey is JKELXYRIGIQZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(6-7-13(17)18)8-15-12(16)9-14-11-4-2-3-5-11/h10-11,14H,2-9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoic acid?
5-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.14, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 82689279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).