2-amino-3-hydroxy-N-(1-hydroxy-3-oxobutan-2-yl)propanamide

C7H14N2O4 — CID 138527125

IUPAC2-amino-3-hydroxy-N-(1-hydroxy-3-oxobutan-2-yl)propanamide
SMILESCC(=O)C(CO)NC(=O)C(N)CO
InChIInChI=1S/C7H14N2O4/c1-4(12)6(3-11)9-7(13)5(8)2-10/h5-6,10-11H,2-3,8H2,1H3,(H,9,13)
InChIKeyNHNRRDKYOMBRBZ-UHFFFAOYSA-N
MW190.20 g/mol
LogP-2.63
Rot. Bonds5

About 2-amino-3-hydroxy-N-(1-hydroxy-3-oxobutan-2-yl)propanamide

2-amino-3-hydroxy-N-(1-hydroxy-3-oxobutan-2-yl)propanamide (PubChem CID 138527125) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-amino-3-hydroxy-N-(1-hydroxy-3-oxobutan-2-yl)propanamide.

Molecular Properties

Compound Name2-amino-3-hydroxy-N-(1-hydroxy-3-oxobutan-2-yl)propanamide
PubChem CID138527125
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name2-amino-3-hydroxy-N-(1-hydroxy-3-oxobutan-2-yl)propanamide
SMILESCC(=O)C(CO)NC(=O)C(N)CO
InChIInChI=1S/C7H14N2O4/c1-4(12)6(3-11)9-7(13)5(8)2-10/h5-6,10-11H,2-3,8H2,1H3,(H,9,13)
InChIKeyNHNRRDKYOMBRBZ-UHFFFAOYSA-N
XLogP-2.63
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-2.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxypropanamide
CID 138624808
ethyl 2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoate;hydrochloride
CID 156620479
N-[(2R)-1-hydroxy-3-oxobutan-2-yl]acetamide
CID 90242919
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoic acid
CID 138911104
2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-4-methylpentanoyl]amino]-3-hydroxypropanoic acid
CID 18223989
2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoic acid
CID 18743410
2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoyl]amino]butanedioic acid
CID 18224076
(2R)-2-[[(2S)-2-aminobutanoyl]amino]-3-hydroxypropanoic acid
CID 80750694
(3S)-3-amino-4-hydroxybutan-2-one
CID 91337493
4-amino-2-[(2-amino-3-hydroxypropanoyl)amino]-4-oxobutanoic acid
CID 13071897
(2R)-2-[(2-amino-3,3-dimethylbutanoyl)amino]-3-hydroxypropanoic acid
CID 103930250
acetic acid;(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 131697988

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-N-(1-hydroxy-3-oxobutan-2-yl)propanamide?
The IUPAC name of 2-amino-3-hydroxy-N-(1-hydroxy-3-oxobutan-2-yl)propanamide (CID 138527125) is 2-amino-3-hydroxy-N-(1-hydroxy-3-oxobutan-2-yl)propanamide.
What is the SMILES notation for 2-amino-3-hydroxy-N-(1-hydroxy-3-oxobutan-2-yl)propanamide?
The canonical SMILES for 2-amino-3-hydroxy-N-(1-hydroxy-3-oxobutan-2-yl)propanamide is CC(=O)C(CO)NC(=O)C(N)CO.
What is the InChIKey of 2-amino-3-hydroxy-N-(1-hydroxy-3-oxobutan-2-yl)propanamide?
The InChIKey is NHNRRDKYOMBRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-4(12)6(3-11)9-7(13)5(8)2-10/h5-6,10-11H,2-3,8H2,1H3,(H,9,13).
What are the key properties of 2-amino-3-hydroxy-N-(1-hydroxy-3-oxobutan-2-yl)propanamide?
2-amino-3-hydroxy-N-(1-hydroxy-3-oxobutan-2-yl)propanamide has a molecular weight of 190.20 g/mol, XLogP of -2.63, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-N-(1-hydroxy-3-oxobutan-2-yl)propanamide is sourced from PubChem (CID 138527125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).