N-(2,3-dihydroxypropyl)-2-hydroxybutanamide

C7H15NO4 — CID 90334941

IUPACN-(2,3-dihydroxypropyl)-2-hydroxybutanamide
SMILESCCC(O)C(=O)NCC(O)CO
InChIInChI=1S/C7H15NO4/c1-2-6(11)7(12)8-3-5(10)4-9/h5-6,9-11H,2-4H2,1H3,(H,8,12)
InChIKeySYIANCATUZNSNS-UHFFFAOYSA-N
MW177.20 g/mol
LogP-1.77
Rot. Bonds5

About N-(2,3-dihydroxypropyl)-2-hydroxybutanamide

N-(2,3-dihydroxypropyl)-2-hydroxybutanamide (PubChem CID 90334941) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-2-hydroxybutanamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-2-hydroxybutanamide
PubChem CID90334941
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC NameN-(2,3-dihydroxypropyl)-2-hydroxybutanamide
SMILESCCC(O)C(=O)NCC(O)CO
InChIInChI=1S/C7H15NO4/c1-2-6(11)7(12)8-3-5(10)4-9/h5-6,9-11H,2-4H2,1H3,(H,8,12)
InChIKeySYIANCATUZNSNS-UHFFFAOYSA-N
XLogP-1.77
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
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

2-hydroxy-N-(2-hydroxyethyl)butanamide
CID 86250603
N-[(2R)-2,3-dihydroxypropyl]propanamide
CID 88953699
N-(2,3-dihydroxypropyl)-2-methoxypropanamide
CID 115749574
(2S)-2-amino-N-(2,3-dihydroxypropyl)-3-methylbutanamide
CID 65440271
N-(2,3-dihydroxypropyl)butanamide
CID 20700885
2-hydroxy-N-(2-hydroxyethyl)butanamide;phosphoric acid
CID 87238099
[(2R)-2,3-dihydroxypropyl]urea
CID 88558789
(2S)-2-amino-N-(2-hydroxybutyl)propanamide
CID 104866791
(2S)-2-hydroxy-N-(2-methoxyethyl)butanamide
CID 118219628
(2S)-2-hydroxy-N-[(2R)-2-hydroxybutyl]-3-methylbutanamide
CID 134189475
N-[(2R)-2,3-dihydroxypropyl]-3-methyl-2-oxobutanamide
CID 134194631
2-amino-N-(2,3-dihydroxypropyl)-4-methylsulfonylbutanamide
CID 66168706

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-2-hydroxybutanamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-2-hydroxybutanamide (CID 90334941) is N-(2,3-dihydroxypropyl)-2-hydroxybutanamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-2-hydroxybutanamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-2-hydroxybutanamide is CCC(O)C(=O)NCC(O)CO.
What is the InChIKey of N-(2,3-dihydroxypropyl)-2-hydroxybutanamide?
The InChIKey is SYIANCATUZNSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4/c1-2-6(11)7(12)8-3-5(10)4-9/h5-6,9-11H,2-4H2,1H3,(H,8,12).
What are the key properties of N-(2,3-dihydroxypropyl)-2-hydroxybutanamide?
N-(2,3-dihydroxypropyl)-2-hydroxybutanamide has a molecular weight of 177.20 g/mol, XLogP of -1.77, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-2-hydroxybutanamide is sourced from PubChem (CID 90334941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).