(2S)-2-amino-N-(3-hydroxypentyl)-3-methylbutanamide

C10H22N2O2 — CID 103796232

IUPAC(2S)-2-amino-N-(3-hydroxypentyl)-3-methylbutanamide
SMILESCCC(O)CCNC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C10H22N2O2/c1-4-8(13)5-6-12-10(14)9(11)7(2)3/h7-9,13H,4-6,11H2,1-3H3,(H,12,14)/t8?,9-/m0/s1
InChIKeyVSVYCCOPHUAIJC-GKAPJAKFSA-N
MW202.30 g/mol
LogP0.25
Rot. Bonds6

About (2S)-2-amino-N-(3-hydroxypentyl)-3-methylbutanamide

(2S)-2-amino-N-(3-hydroxypentyl)-3-methylbutanamide (PubChem CID 103796232) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-hydroxypentyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-hydroxypentyl)-3-methylbutanamide
PubChem CID103796232
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name(2S)-2-amino-N-(3-hydroxypentyl)-3-methylbutanamide
SMILESCCC(O)CCNC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C10H22N2O2/c1-4-8(13)5-6-12-10(14)9(11)7(2)3/h7-9,13H,4-6,11H2,1-3H3,(H,12,14)/t8?,9-/m0/s1
InChIKeyVSVYCCOPHUAIJC-GKAPJAKFSA-N
XLogP0.25
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

2-amino-N-(3-hydroxypentyl)-3,3-dimethylbutanamide
CID 115751041
4-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-hydroxybutanoic acid
CID 107836107
2-amino-3-methyl-N-propylbutanamide;ethane
CID 143224871
N-(3-hydroxypentyl)-2-methoxypropanamide
CID 115703372
(2S)-2-amino-N-butyl-3-methylbutan(15N)amide
CID 158456312
(2S)-2-amino-N-[8-[[(2S)-2-amino-3-methylbutanoyl]amino]octyl]-3-methylbutanamide
CID 101248769
(2S)-2-amino-N-(2,3-dihydroxypropyl)-3-methylbutanamide
CID 65440271
(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-methylbutanamide
CID 79011495
(2S)-4-[(2-amino-3-methylpentanoyl)amino]-2-hydroxybutanoic acid
CID 107836409
2-amino-3-methyl-N-(2-methylpropyl)butanamide
CID 19602466
(2R)-2-amino-3-methyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104761131
(2S)-2-amino-N-(3-bromopropyl)-3-methylbutanamide
CID 139696005

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-hydroxypentyl)-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-(3-hydroxypentyl)-3-methylbutanamide (CID 103796232) is (2S)-2-amino-N-(3-hydroxypentyl)-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-hydroxypentyl)-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(3-hydroxypentyl)-3-methylbutanamide is CCC(O)CCNC(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-N-(3-hydroxypentyl)-3-methylbutanamide?
The InChIKey is VSVYCCOPHUAIJC-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-4-8(13)5-6-12-10(14)9(11)7(2)3/h7-9,13H,4-6,11H2,1-3H3,(H,12,14)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-hydroxypentyl)-3-methylbutanamide?
(2S)-2-amino-N-(3-hydroxypentyl)-3-methylbutanamide has a molecular weight of 202.30 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-hydroxypentyl)-3-methylbutanamide is sourced from PubChem (CID 103796232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).