(2S)-2-amino-N-(4-hydroxybutyl)-3-methylpentanamide

C10H22N2O2 — CID 87554780

IUPAC(2S)-2-amino-N-(4-hydroxybutyl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)NCCCCO
InChIInChI=1S/C10H22N2O2/c1-3-8(2)9(11)10(14)12-6-4-5-7-13/h8-9,13H,3-7,11H2,1-2H3,(H,12,14)/t8?,9-/m0/s1
InChIKeyOTJMEOUAIIJNNO-GKAPJAKFSA-N
MW202.30 g/mol
LogP0.25
Rot. Bonds7

About (2S)-2-amino-N-(4-hydroxybutyl)-3-methylpentanamide

(2S)-2-amino-N-(4-hydroxybutyl)-3-methylpentanamide (PubChem CID 87554780) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-hydroxybutyl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-hydroxybutyl)-3-methylpentanamide
PubChem CID87554780
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name(2S)-2-amino-N-(4-hydroxybutyl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)NCCCCO
InChIInChI=1S/C10H22N2O2/c1-3-8(2)9(11)10(14)12-6-4-5-7-13/h8-9,13H,3-7,11H2,1-2H3,(H,12,14)/t8?,9-/m0/s1
InChIKeyOTJMEOUAIIJNNO-GKAPJAKFSA-N
XLogP0.25
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-methyl-N-pentylpentanamide
CID 22690936
(2S)-2-amino-3-methyl-N-octadecylpentanamide
CID 58604652
(2S)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)pentanamide
CID 114137059
(2S,3S)-2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylpentanamide
CID 103950558
7-[[(2S)-2-amino-3-methylpentanoyl]amino]heptanoic acid
CID 61172355
2-amino-3-methyl-N-(5,5,5-trifluoropentyl)pentanamide
CID 113327482
2-amino-3-methyl-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride
CID 119677886
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
(2R)-2-amino-N-(4-hydroxybutyl)propanamide
CID 106842086
2-amino-3-methyl-N-(3-methylsulfinylpropyl)pentanamide
CID 115739288
N-(2-acetamidoethyl)-2-amino-3-methylpentanamide
CID 43552884
2-[(2-amino-3-methylpentanoyl)amino]ethanesulfonic acid
CID 23189977

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-hydroxybutyl)-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(4-hydroxybutyl)-3-methylpentanamide (CID 87554780) is (2S)-2-amino-N-(4-hydroxybutyl)-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-hydroxybutyl)-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(4-hydroxybutyl)-3-methylpentanamide is CCC(C)[C@H](N)C(=O)NCCCCO.
What is the InChIKey of (2S)-2-amino-N-(4-hydroxybutyl)-3-methylpentanamide?
The InChIKey is OTJMEOUAIIJNNO-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-3-8(2)9(11)10(14)12-6-4-5-7-13/h8-9,13H,3-7,11H2,1-2H3,(H,12,14)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-hydroxybutyl)-3-methylpentanamide?
(2S)-2-amino-N-(4-hydroxybutyl)-3-methylpentanamide has a molecular weight of 202.30 g/mol, XLogP of 0.25, 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-(4-hydroxybutyl)-3-methylpentanamide is sourced from PubChem (CID 87554780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).