N-[(3S)-1-amino-4-oxohexan-3-yl]-3-hydroxybutanamide

C10H20N2O3 — CID 144918100

IUPACN-[(3S)-1-amino-4-oxohexan-3-yl]-3-hydroxybutanamide
SMILESCCC(=O)[C@H](CCN)NC(=O)CC(C)O
InChIInChI=1S/C10H20N2O3/c1-3-9(14)8(4-5-11)12-10(15)6-7(2)13/h7-8,13H,3-6,11H2,1-2H3,(H,12,15)/t7?,8-/m0/s1
InChIKeyMCSFAKZQLSWNHU-MQWKRIRWSA-N
MW216.28 g/mol
LogP-0.43
Rot. Bonds7

About N-[(3S)-1-amino-4-oxohexan-3-yl]-3-hydroxybutanamide

N-[(3S)-1-amino-4-oxohexan-3-yl]-3-hydroxybutanamide (PubChem CID 144918100) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is N-[(3S)-1-amino-4-oxohexan-3-yl]-3-hydroxybutanamide.

Molecular Properties

Compound NameN-[(3S)-1-amino-4-oxohexan-3-yl]-3-hydroxybutanamide
PubChem CID144918100
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC NameN-[(3S)-1-amino-4-oxohexan-3-yl]-3-hydroxybutanamide
SMILESCCC(=O)[C@H](CCN)NC(=O)CC(C)O
InChIInChI=1S/C10H20N2O3/c1-3-9(14)8(4-5-11)12-10(15)6-7(2)13/h7-8,13H,3-6,11H2,1-2H3,(H,12,15)/t7?,8-/m0/s1
InChIKeyMCSFAKZQLSWNHU-MQWKRIRWSA-N
XLogP-0.43
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-[(1-amino-4-oxohexan-3-yl)amino]-2-oxoethyl]octanamide
CID 167133850
4-amino-N-[2-[(1-amino-4-oxohexan-3-yl)amino]-2-oxoethyl]-2-thiophen-2-ylbutanamide;ethane;ethanol
CID 145088373
4-amino-N-[(2S)-2-hydroxypropyl]-2-methylbutanamide
CID 107221139
N-(2-aminoethyl)-3-methyl-4-oxohexanamide
CID 145348693
(3R)-3-hydroxy-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 89065731
(2S)-2-[[(2R)-2-amino-2-cyclohexylacetyl]amino]-N-[(3S)-1-amino-4-oxohexan-3-yl]-3-hydroxybutanamide
CID 139469331
(2S)-N-[(2S)-1-amino-3-oxopentan-2-yl]-2-[[(2S)-2,4-diaminobutanoyl]amino]-3-hydroxybutanamide
CID 134219614
4-amino-2-methyl-N-propan-2-ylbutanamide
CID 80541541
ethyl (2R)-2-[[(3S)-3-hydroxybutanoyl]amino]-3-methylbutanoate
CID 170194218
(3S)-3-hydroxy-N-[(2S)-4-methyl-1-(methylamino)-3-oxopentan-2-yl]butanamide
CID 166658845
(2S,3R)-2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]butanoyl]amino]-3-hydroxybutanoic acid
CID 175763034
4-amino-2-methylbutanoic acid
CID 3759025

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-amino-4-oxohexan-3-yl]-3-hydroxybutanamide?
The IUPAC name of N-[(3S)-1-amino-4-oxohexan-3-yl]-3-hydroxybutanamide (CID 144918100) is N-[(3S)-1-amino-4-oxohexan-3-yl]-3-hydroxybutanamide.
What is the SMILES notation for N-[(3S)-1-amino-4-oxohexan-3-yl]-3-hydroxybutanamide?
The canonical SMILES for N-[(3S)-1-amino-4-oxohexan-3-yl]-3-hydroxybutanamide is CCC(=O)[C@H](CCN)NC(=O)CC(C)O.
What is the InChIKey of N-[(3S)-1-amino-4-oxohexan-3-yl]-3-hydroxybutanamide?
The InChIKey is MCSFAKZQLSWNHU-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-3-9(14)8(4-5-11)12-10(15)6-7(2)13/h7-8,13H,3-6,11H2,1-2H3,(H,12,15)/t7?,8-/m0/s1.
What are the key properties of N-[(3S)-1-amino-4-oxohexan-3-yl]-3-hydroxybutanamide?
N-[(3S)-1-amino-4-oxohexan-3-yl]-3-hydroxybutanamide has a molecular weight of 216.28 g/mol, XLogP of -0.43, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-amino-4-oxohexan-3-yl]-3-hydroxybutanamide is sourced from PubChem (CID 144918100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).