(2S)-2-amino-N-(2-hydroxy-3-methylbutyl)hexanamide

C11H24N2O2 — CID 103950758

IUPAC(2S)-2-amino-N-(2-hydroxy-3-methylbutyl)hexanamide
SMILESCCCC[C@H](N)C(=O)NCC(O)C(C)C
InChIInChI=1S/C11H24N2O2/c1-4-5-6-9(12)11(15)13-7-10(14)8(2)3/h8-10,14H,4-7,12H2,1-3H3,(H,13,15)/t9-,10?/m0/s1
InChIKeyNBVYPFYWYCNMMR-RGURZIINSA-N
MW216.32 g/mol
LogP0.64
Rot. Bonds7

About (2S)-2-amino-N-(2-hydroxy-3-methylbutyl)hexanamide

(2S)-2-amino-N-(2-hydroxy-3-methylbutyl)hexanamide (PubChem CID 103950758) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-hydroxy-3-methylbutyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-hydroxy-3-methylbutyl)hexanamide
PubChem CID103950758
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name(2S)-2-amino-N-(2-hydroxy-3-methylbutyl)hexanamide
SMILESCCCC[C@H](N)C(=O)NCC(O)C(C)C
InChIInChI=1S/C11H24N2O2/c1-4-5-6-9(12)11(15)13-7-10(14)8(2)3/h8-10,14H,4-7,12H2,1-3H3,(H,13,15)/t9-,10?/m0/s1
InChIKeyNBVYPFYWYCNMMR-RGURZIINSA-N
XLogP0.64
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2-hydroxypropyl)hexanamide
CID 103950098
2-amino-N-[2-(dimethylamino)propyl]hexanamide
CID 61043686
(2S)-2-amino-N-(4-hydroxy-2-methylbutyl)hexanamide
CID 107145862
(2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
CID 103831039
(2S)-2-amino-N-butylhexanamide;hydrochloride
CID 86592163
5-(2-aminohexanoylamino)-4-methylpentanoic acid
CID 82689054
2-amino-N-hexylhexanamide
CID 60852762
(2S)-2-amino-N-(2,2-dicyclopropylethyl)hexanamide
CID 113304830
(2S)-2-amino-N-dodecylhexanamide;hydrochloride
CID 135364190
(2S)-2-amino-N-[4-(propan-2-ylamino)butyl]hexanamide
CID 167615708
(2S)-2-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]hexanamide
CID 103950354
(2S,3S)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-methylpentanamide
CID 103950762

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-hydroxy-3-methylbutyl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(2-hydroxy-3-methylbutyl)hexanamide (CID 103950758) is (2S)-2-amino-N-(2-hydroxy-3-methylbutyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-hydroxy-3-methylbutyl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(2-hydroxy-3-methylbutyl)hexanamide is CCCC[C@H](N)C(=O)NCC(O)C(C)C.
What is the InChIKey of (2S)-2-amino-N-(2-hydroxy-3-methylbutyl)hexanamide?
The InChIKey is NBVYPFYWYCNMMR-RGURZIINSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-4-5-6-9(12)11(15)13-7-10(14)8(2)3/h8-10,14H,4-7,12H2,1-3H3,(H,13,15)/t9-,10?/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-hydroxy-3-methylbutyl)hexanamide?
(2S)-2-amino-N-(2-hydroxy-3-methylbutyl)hexanamide has a molecular weight of 216.32 g/mol, XLogP of 0.64, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-hydroxy-3-methylbutyl)hexanamide is sourced from PubChem (CID 103950758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).