(2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)hexanamide

C9H20N2O3 — CID 107145775

IUPAC(2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)hexanamide
SMILESCCCC[C@H](N)C(=O)NC(CO)CO
InChIInChI=1S/C9H20N2O3/c1-2-3-4-8(10)9(14)11-7(5-12)6-13/h7-8,12-13H,2-6,10H2,1H3,(H,11,14)/t8-/m0/s1
InChIKeyOMDYYXMOZQTGLN-QMMMGPOBSA-N
MW204.27 g/mol
LogP-1.03
Rot. Bonds7

About (2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)hexanamide

(2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)hexanamide (PubChem CID 107145775) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)hexanamide
PubChem CID107145775
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name(2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)hexanamide
SMILESCCCC[C@H](N)C(=O)NC(CO)CO
InChIInChI=1S/C9H20N2O3/c1-2-3-4-8(10)9(14)11-7(5-12)6-13/h7-8,12-13H,2-6,10H2,1H3,(H,11,14)/t8-/m0/s1
InChIKeyOMDYYXMOZQTGLN-QMMMGPOBSA-N
XLogP-1.03
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(1-hydroxybutan-2-yl)hexanamide
CID 107143870
(2S)-2-(2-aminohexanoylamino)propanoic acid
CID 51063258
(2R)-2-amino-N-octan-4-ylpentanamide
CID 103797903
2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide
CID 107222375
(2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide
CID 107571000
2-amino-N-(1,3-dihydroxypropan-2-yl)butanamide
CID 65314270
(2R)-2-amino-N-octan-4-ylbutanamide
CID 104878219
N-(1,3-dihydroxypropan-2-yl)-2-methylhexanamide
CID 154697432
3-[[(2S)-2-aminohexanoyl]amino]-5,5-dimethylhexanoic acid
CID 107146590
4-[[(2S)-2-aminohexanoyl]amino]pentanoic acid
CID 107145612
(2S)-2-(2-aminohexanoylamino)-3-methylbutanoic acid
CID 61173844
2-amino-5-methoxy-N-octan-4-ylpentanamide
CID 114138350

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)hexanamide (CID 107145775) is (2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)hexanamide is CCCC[C@H](N)C(=O)NC(CO)CO.
What is the InChIKey of (2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)hexanamide?
The InChIKey is OMDYYXMOZQTGLN-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-2-3-4-8(10)9(14)11-7(5-12)6-13/h7-8,12-13H,2-6,10H2,1H3,(H,11,14)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)hexanamide?
(2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)hexanamide has a molecular weight of 204.27 g/mol, XLogP of -1.03, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)hexanamide is sourced from PubChem (CID 107145775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).