N-(1,3-dihydroxypropan-2-yl)-4-hydroxybutanamide

C7H15NO4 — CID 18920494

IUPACN-(1,3-dihydroxypropan-2-yl)-4-hydroxybutanamide
SMILESO=C(CCCO)NC(CO)CO
InChIInChI=1S/C7H15NO4/c9-3-1-2-7(12)8-6(4-10)5-11/h6,9-11H,1-5H2,(H,8,12)
InChIKeyDLKXANCALKYPLV-UHFFFAOYSA-N
MW177.20 g/mol
LogP-1.77
Rot. Bonds6

About N-(1,3-dihydroxypropan-2-yl)-4-hydroxybutanamide

N-(1,3-dihydroxypropan-2-yl)-4-hydroxybutanamide (PubChem CID 18920494) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-4-hydroxybutanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-4-hydroxybutanamide
PubChem CID18920494
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-4-hydroxybutanamide
SMILESO=C(CCCO)NC(CO)CO
InChIInChI=1S/C7H15NO4/c9-3-1-2-7(12)8-6(4-10)5-11/h6,9-11H,1-5H2,(H,8,12)
InChIKeyDLKXANCALKYPLV-UHFFFAOYSA-N
XLogP-1.77
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-1.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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Etoxybamide
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4-[(2-Hydroxyethyl)amino]-4-oxobutanoic acid
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Hydroxybutyrylglycine
CID 9807500
3-butylamino-4-hydroxy-N-butylbutyramide
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Oxobutyryl serinolamide
CID 65313829
N-[(2S)-1-hydroxypropan-2-yl]butanamide
CID 28345692
(4S)-4-(hydroxymethyl)azetidin-2-one
CID 10964424
N-(1-hydroxybutan-2-yl)butanamide
CID 15732300
4-hydroxy-N-isopropylbutanamide
CID 54550104
(2R)-2-amino-4-hydroxy-N-(2-hydroxyethyl)butanamide
CID 45122469
N-(1,3-dihydroxypropan-2-yl)-4,4,4-trifluorobutanamide
CID 65711572

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-4-hydroxybutanamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-4-hydroxybutanamide (CID 18920494) is N-(1,3-dihydroxypropan-2-yl)-4-hydroxybutanamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-4-hydroxybutanamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-4-hydroxybutanamide is O=C(CCCO)NC(CO)CO.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-4-hydroxybutanamide?
The InChIKey is DLKXANCALKYPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4/c9-3-1-2-7(12)8-6(4-10)5-11/h6,9-11H,1-5H2,(H,8,12).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-4-hydroxybutanamide?
N-(1,3-dihydroxypropan-2-yl)-4-hydroxybutanamide has a molecular weight of 177.20 g/mol, XLogP of -1.77, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-4-hydroxybutanamide is sourced from PubChem (CID 18920494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).