(2S)-2-amino-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxypropanamide

C6H13N3O4 — CID 138624808

IUPAC(2S)-2-amino-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxypropanamide
SMILESNC(=O)[C@H](CO)NC(=O)[C@@H](N)CO
InChIInChI=1S/C6H13N3O4/c7-3(1-10)6(13)9-4(2-11)5(8)12/h3-4,10-11H,1-2,7H2,(H2,8,12)(H,9,13)/t3-,4-/m0/s1
InChIKeyHDOZMIGAWQOTIH-IMJSIDKUSA-N
MW191.19 g/mol
LogP-3.73
Rot. Bonds5

About (2S)-2-amino-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxypropanamide

(2S)-2-amino-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxypropanamide (PubChem CID 138624808) has the molecular formula C6H13N3O4 and a molecular weight of 191.19 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxypropanamide
PubChem CID138624808
Molecular FormulaC6H13N3O4
Molecular Weight191.19 g/mol
Exact Mass191.09
IUPAC Name(2S)-2-amino-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxypropanamide
SMILESNC(=O)[C@H](CO)NC(=O)[C@@H](N)CO
InChIInChI=1S/C6H13N3O4/c7-3(1-10)6(13)9-4(2-11)5(8)12/h3-4,10-11H,1-2,7H2,(H2,8,12)(H,9,13)/t3-,4-/m0/s1
InChIKeyHDOZMIGAWQOTIH-IMJSIDKUSA-N
XLogP-3.73
TPSA138.67 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-3.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-hydroxy-N-(1-hydroxy-3-oxobutan-2-yl)propanamide
CID 138527125
(2S,3R)-2-amino-N-[(2R)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxybutanamide
CID 153393689
4-amino-2-[(2-amino-3-hydroxypropanoyl)amino]-4-oxobutanoic acid
CID 13071897
ethyl 2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoate;hydrochloride
CID 156620479
2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoyl]amino]butanedioic acid
CID 18224076
2-[[4-amino-2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]butanedioic acid
CID 18743143
2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoic acid
CID 18743410
(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-amino-3-hydroxypropanoyl)amino]-2-cyclohexylacetyl]amino]butanamide
CID 123375259
(3S)-3-amino-4-[(1-carboxy-2-hydroxyethyl)amino]-4-oxobutanoic acid
CID 22823992
methyl (2R)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]propanoate
CID 155460298

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxypropanamide?
The IUPAC name of (2S)-2-amino-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxypropanamide (CID 138624808) is (2S)-2-amino-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxypropanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxypropanamide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxypropanamide is NC(=O)[C@H](CO)NC(=O)[C@@H](N)CO.
What is the InChIKey of (2S)-2-amino-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxypropanamide?
The InChIKey is HDOZMIGAWQOTIH-IMJSIDKUSA-N. The full InChI is InChI=1S/C6H13N3O4/c7-3(1-10)6(13)9-4(2-11)5(8)12/h3-4,10-11H,1-2,7H2,(H2,8,12)(H,9,13)/t3-,4-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxypropanamide?
(2S)-2-amino-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxypropanamide has a molecular weight of 191.19 g/mol, XLogP of -3.73, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxypropanamide is sourced from PubChem (CID 138624808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).