(2S)-2-amino-N-(1-hydroxybutan-2-yl)hexanamide

C10H22N2O2 — CID 107143870

IUPAC(2S)-2-amino-N-(1-hydroxybutan-2-yl)hexanamide
SMILESCCCC[C@H](N)C(=O)NC(CC)CO
InChIInChI=1S/C10H22N2O2/c1-3-5-6-9(11)10(14)12-8(4-2)7-13/h8-9,13H,3-7,11H2,1-2H3,(H,12,14)/t8?,9-/m0/s1
InChIKeyDYPHGVWZDIQJKV-GKAPJAKFSA-N
MW202.30 g/mol
LogP0.39
Rot. Bonds7

About (2S)-2-amino-N-(1-hydroxybutan-2-yl)hexanamide

(2S)-2-amino-N-(1-hydroxybutan-2-yl)hexanamide (PubChem CID 107143870) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-hydroxybutan-2-yl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-hydroxybutan-2-yl)hexanamide
PubChem CID107143870
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name(2S)-2-amino-N-(1-hydroxybutan-2-yl)hexanamide
SMILESCCCC[C@H](N)C(=O)NC(CC)CO
InChIInChI=1S/C10H22N2O2/c1-3-5-6-9(11)10(14)12-8(4-2)7-13/h8-9,13H,3-7,11H2,1-2H3,(H,12,14)/t8?,9-/m0/s1
InChIKeyDYPHGVWZDIQJKV-GKAPJAKFSA-N
XLogP0.39
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 ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)hexanamide
CID 107145775
2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide
CID 107222375
(2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide
CID 107571000
(2R)-2-amino-N-octan-4-ylbutanamide
CID 104878219
(2S)-2-(2-aminohexanoylamino)propanoic acid
CID 51063258
(2R)-2-amino-N-octan-4-ylpentanamide
CID 103797903
3-amino-4-[[(2S)-1-hydroxybutan-2-yl]amino]-4-oxobutanoic acid
CID 107222531
(2S)-2-amino-N-hexan-3-ylpentanamide
CID 107569552
2-amino-N-(1,3-dihydroxypropan-2-yl)butanamide
CID 65314270
2-amino-N-(1-hydroxybutan-2-yl)-4-methylpentanamide
CID 43500021
(2S)-2-[[(2S)-2-aminohexanoyl]amino]-3-methylpentanoic acid
CID 107144854
3-[[(2S)-2-aminohexanoyl]amino]-5,5-dimethylhexanoic acid
CID 107146590

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-hydroxybutan-2-yl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(1-hydroxybutan-2-yl)hexanamide (CID 107143870) is (2S)-2-amino-N-(1-hydroxybutan-2-yl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-hydroxybutan-2-yl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(1-hydroxybutan-2-yl)hexanamide is CCCC[C@H](N)C(=O)NC(CC)CO.
What is the InChIKey of (2S)-2-amino-N-(1-hydroxybutan-2-yl)hexanamide?
The InChIKey is DYPHGVWZDIQJKV-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-3-5-6-9(11)10(14)12-8(4-2)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-(1-hydroxybutan-2-yl)hexanamide?
(2S)-2-amino-N-(1-hydroxybutan-2-yl)hexanamide has a molecular weight of 202.30 g/mol, XLogP of 0.39, 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-(1-hydroxybutan-2-yl)hexanamide is sourced from PubChem (CID 107143870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).