(2S)-2-(2-aminohexanoylamino)propanoic acid

C9H18N2O3 — CID 51063258

IUPAC(2S)-2-(2-aminohexanoylamino)propanoic acid
SMILESCCCCC(N)C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-3-4-5-7(10)8(12)11-6(2)9(13)14/h6-7H,3-5,10H2,1-2H3,(H,11,12)(H,13,14)/t6-,7?/m0/s1
InChIKeyXLEHGXUWECZZQJ-PKPIPKONSA-N
MW202.25 g/mol
LogP0.09
Rot. Bonds6

About (2S)-2-(2-aminohexanoylamino)propanoic acid

(2S)-2-(2-aminohexanoylamino)propanoic acid (PubChem CID 51063258) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2S)-2-(2-aminohexanoylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(2-aminohexanoylamino)propanoic acid
PubChem CID51063258
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name(2S)-2-(2-aminohexanoylamino)propanoic acid
SMILESCCCCC(N)C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-3-4-5-7(10)8(12)11-6(2)9(13)14/h6-7H,3-5,10H2,1-2H3,(H,11,12)(H,13,14)/t6-,7?/m0/s1
InChIKeyXLEHGXUWECZZQJ-PKPIPKONSA-N
XLogP0.09
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(methylamino)-1-oxopropan-2-yl]hexanamide
CID 61467506
(2S)-2-[[(2R)-2,6-diaminohexanoyl]amino]propanoic acid
CID 54238921
(2S)-2-(2,6-diaminohexanoylamino)propanoic acid
CID 130447045
(2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)hexanamide
CID 107145775
(2S)-2-(2-aminohexanoylamino)-3-methylbutanoic acid
CID 61173844
(2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]hexanamide
CID 103831075
2-[[(2S)-2-aminohexanoyl]amino]-3-hydroxybutanoic acid
CID 107144699
(2S)-2-amino-N-(1-hydroxybutan-2-yl)hexanamide
CID 107143870
(2S)-2-[[(2S)-2-aminohexanoyl]amino]-3-methylpentanoic acid
CID 107144854
4-[[(2S)-2-aminohexanoyl]amino]pentanoic acid
CID 107145612
(2S)-2-[2-(carbamoylamino)hexanoylamino]propanoic acid
CID 119942919
2-(2-aminohexanoylamino)-3,3-dimethylbutanoic acid
CID 61161199

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-aminohexanoylamino)propanoic acid?
The IUPAC name of (2S)-2-(2-aminohexanoylamino)propanoic acid (CID 51063258) is (2S)-2-(2-aminohexanoylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(2-aminohexanoylamino)propanoic acid?
The canonical SMILES for (2S)-2-(2-aminohexanoylamino)propanoic acid is CCCCC(N)C(=O)N[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-(2-aminohexanoylamino)propanoic acid?
The InChIKey is XLEHGXUWECZZQJ-PKPIPKONSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-3-4-5-7(10)8(12)11-6(2)9(13)14/h6-7H,3-5,10H2,1-2H3,(H,11,12)(H,13,14)/t6-,7?/m0/s1.
What are the key properties of (2S)-2-(2-aminohexanoylamino)propanoic acid?
(2S)-2-(2-aminohexanoylamino)propanoic acid has a molecular weight of 202.25 g/mol, XLogP of 0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-aminohexanoylamino)propanoic acid is sourced from PubChem (CID 51063258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).