4-[[(2S)-2-aminohexanoyl]amino]pentanoic acid

C11H22N2O3 — CID 107145612

IUPAC4-[[(2S)-2-aminohexanoyl]amino]pentanoic acid
SMILESCCCC[C@H](N)C(=O)NC(C)CCC(=O)O
InChIInChI=1S/C11H22N2O3/c1-3-4-5-9(12)11(16)13-8(2)6-7-10(14)15/h8-9H,3-7,12H2,1-2H3,(H,13,16)(H,14,15)/t8?,9-/m0/s1
InChIKeyRNXNYSCILATZGN-GKAPJAKFSA-N
MW230.31 g/mol
LogP0.87
Rot. Bonds8

About 4-[[(2S)-2-aminohexanoyl]amino]pentanoic acid

4-[[(2S)-2-aminohexanoyl]amino]pentanoic acid (PubChem CID 107145612) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[[(2S)-2-aminohexanoyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-[[(2S)-2-aminohexanoyl]amino]pentanoic acid
PubChem CID107145612
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name4-[[(2S)-2-aminohexanoyl]amino]pentanoic acid
SMILESCCCC[C@H](N)C(=O)NC(C)CCC(=O)O
InChIInChI=1S/C11H22N2O3/c1-3-4-5-9(12)11(16)13-8(2)6-7-10(14)15/h8-9H,3-7,12H2,1-2H3,(H,13,16)(H,14,15)/t8?,9-/m0/s1
InChIKeyRNXNYSCILATZGN-GKAPJAKFSA-N
XLogP0.87
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-2-aminohexanoyl]amino]pentanedioic acid
CID 107144810
(2S)-2-[[(2S)-2-[[(2S)-2-aminohexanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 175745494
5-(2-aminohexanoylamino)-4-methylpentanoic acid
CID 82689054
(2S)-2-(2-aminohexanoylamino)propanoic acid
CID 51063258
(2S)-2-amino-N-hexan-2-ylbutanamide
CID 79023466
4-(2-aminohexanoylamino)butanoic acid
CID 61157473
(2S)-2-amino-N-(1-ethylsulfanylpropan-2-yl)hexanamide
CID 103831790
(2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)hexanamide
CID 107145775
4-[[(2S)-2-aminohexanoyl]amino]-4-phenylbutanoic acid
CID 107144822
(2S)-2-aminohexanoic acid;(2S)-2-aminopentanedioic acid
CID 87638695
(2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]hexanamide
CID 103831075
(2S)-2-(2-aminohexanoylamino)-3-methylbutanoic acid
CID 61173844

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-aminohexanoyl]amino]pentanoic acid?
The IUPAC name of 4-[[(2S)-2-aminohexanoyl]amino]pentanoic acid (CID 107145612) is 4-[[(2S)-2-aminohexanoyl]amino]pentanoic acid.
What is the SMILES notation for 4-[[(2S)-2-aminohexanoyl]amino]pentanoic acid?
The canonical SMILES for 4-[[(2S)-2-aminohexanoyl]amino]pentanoic acid is CCCC[C@H](N)C(=O)NC(C)CCC(=O)O.
What is the InChIKey of 4-[[(2S)-2-aminohexanoyl]amino]pentanoic acid?
The InChIKey is RNXNYSCILATZGN-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-3-4-5-9(12)11(16)13-8(2)6-7-10(14)15/h8-9H,3-7,12H2,1-2H3,(H,13,16)(H,14,15)/t8?,9-/m0/s1.
What are the key properties of 4-[[(2S)-2-aminohexanoyl]amino]pentanoic acid?
4-[[(2S)-2-aminohexanoyl]amino]pentanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.87, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-aminohexanoyl]amino]pentanoic acid is sourced from PubChem (CID 107145612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).