(2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]-3-methylpentanamide

C10H22N2O2 — CID 107222401

IUPAC(2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)N[C@@H](CC)CO
InChIInChI=1S/C10H22N2O2/c1-4-7(3)9(11)10(14)12-8(5-2)6-13/h7-9,13H,4-6,11H2,1-3H3,(H,12,14)/t7?,8-,9-/m0/s1
InChIKeyZALGSGCVJGVBLW-NPPUSCPJSA-N
MW202.30 g/mol
LogP0.25
Rot. Bonds6

About (2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]-3-methylpentanamide

(2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]-3-methylpentanamide (PubChem CID 107222401) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]-3-methylpentanamide
PubChem CID107222401
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name(2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)N[C@@H](CC)CO
InChIInChI=1S/C10H22N2O2/c1-4-7(3)9(11)10(14)12-8(5-2)6-13/h7-9,13H,4-6,11H2,1-3H3,(H,12,14)/t7?,8-,9-/m0/s1
InChIKeyZALGSGCVJGVBLW-NPPUSCPJSA-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

(2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylpentanamide
CID 61246451
(2S)-2-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-methylpentanamide
CID 107218532
2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]propanoic acid;dihydrochloride
CID 160584478
(2S,3S)-2-amino-N-hex-5-yn-3-yl-3-methylpentanamide
CID 104864186
(2R,3R)-2-amino-N-[(2S)-butan-2-yl]-3-methylpentanamide
CID 93001596
N-[(2R)-1-hydroxybutan-2-yl]-2-methylbutanamide
CID 103919845
3-[(2-amino-3-methylpentanoyl)amino]butanoic acid
CID 61161973
2-amino-N-(1-hydroxybutan-2-yl)-4-methylpentanamide
CID 43500021
3-amino-N-(1-hydroxybutan-2-yl)-2-methylpropanamide
CID 62668866
(2S,3S)-2-amino-3-methyl-N-(2-methylpentan-3-yl)pentanamide
CID 61472767
3-amino-4-[[(2S)-1-hydroxybutan-2-yl]amino]-4-oxobutanoic acid
CID 107222531
2-[[2-[2-[(2-amino-3-methylpentanoyl)amino]propanoylamino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid
CID 18500917

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]-3-methylpentanamide (CID 107222401) is (2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]-3-methylpentanamide is CCC(C)[C@H](N)C(=O)N[C@@H](CC)CO.
What is the InChIKey of (2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]-3-methylpentanamide?
The InChIKey is ZALGSGCVJGVBLW-NPPUSCPJSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-4-7(3)9(11)10(14)12-8(5-2)6-13/h7-9,13H,4-6,11H2,1-3H3,(H,12,14)/t7?,8-,9-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]-3-methylpentanamide?
(2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]-3-methylpentanamide 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-[(2S)-1-hydroxybutan-2-yl]-3-methylpentanamide is sourced from PubChem (CID 107222401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).