5-(2-aminohexanoylamino)-4-methylpentanoic acid

C12H24N2O3 — CID 82689054

IUPAC5-(2-aminohexanoylamino)-4-methylpentanoic acid
SMILESCCCCC(N)C(=O)NCC(C)CCC(=O)O
InChIInChI=1S/C12H24N2O3/c1-3-4-5-10(13)12(17)14-8-9(2)6-7-11(15)16/h9-10H,3-8,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyBBSLRKHKHCRNIS-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.12
Rot. Bonds9

About 5-(2-aminohexanoylamino)-4-methylpentanoic acid

5-(2-aminohexanoylamino)-4-methylpentanoic acid (PubChem CID 82689054) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 5-(2-aminohexanoylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name5-(2-aminohexanoylamino)-4-methylpentanoic acid
PubChem CID82689054
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name5-(2-aminohexanoylamino)-4-methylpentanoic acid
SMILESCCCCC(N)C(=O)NCC(C)CCC(=O)O
InChIInChI=1S/C12H24N2O3/c1-3-4-5-10(13)12(17)14-8-9(2)6-7-11(15)16/h9-10H,3-8,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyBBSLRKHKHCRNIS-UHFFFAOYSA-N
XLogP1.12
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(4-hydroxy-2-methylbutyl)hexanamide
CID 107145862
4-(2-aminohexanoylamino)butanoic acid
CID 61157473
5-[(2-amino-4-methoxybutanoyl)amino]-4-methylpentanoic acid
CID 82689051
4-[[(2S)-2-aminohexanoyl]amino]pentanoic acid
CID 107145612
(2S)-2-amino-N-(2-hydroxypropyl)hexanamide
CID 103950098
5-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoic acid
CID 82688347
(2S)-2-amino-N-(2-hydroxy-3-methylbutyl)hexanamide
CID 103950758
2-amino-N-[2-(dimethylamino)propyl]hexanamide
CID 61043686
5-(2-ethylbutanoylamino)-4-methylpentanoic acid
CID 82010608
4-(2-aminohexanoylamino)-3-methoxybutanoic acid
CID 103157210
4-[[(2S)-2-aminohexanoyl]amino]-3-methoxybutanoic acid
CID 107146780
(2S)-2-amino-N-(4-hydroxy-2-methylbutyl)pentanamide
CID 107569995

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminohexanoylamino)-4-methylpentanoic acid?
The IUPAC name of 5-(2-aminohexanoylamino)-4-methylpentanoic acid (CID 82689054) is 5-(2-aminohexanoylamino)-4-methylpentanoic acid.
What is the SMILES notation for 5-(2-aminohexanoylamino)-4-methylpentanoic acid?
The canonical SMILES for 5-(2-aminohexanoylamino)-4-methylpentanoic acid is CCCCC(N)C(=O)NCC(C)CCC(=O)O.
What is the InChIKey of 5-(2-aminohexanoylamino)-4-methylpentanoic acid?
The InChIKey is BBSLRKHKHCRNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-3-4-5-10(13)12(17)14-8-9(2)6-7-11(15)16/h9-10H,3-8,13H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 5-(2-aminohexanoylamino)-4-methylpentanoic acid?
5-(2-aminohexanoylamino)-4-methylpentanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.12, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminohexanoylamino)-4-methylpentanoic acid is sourced from PubChem (CID 82689054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).