(2S)-3-hydroxy-2-(oxamoylamino)propanoic acid

C5H8N2O5 — CID 171342285

IUPAC(2S)-3-hydroxy-2-(oxamoylamino)propanoic acid
SMILESNC(=O)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C5H8N2O5/c6-3(9)4(10)7-2(1-8)5(11)12/h2,8H,1H2,(H2,6,9)(H,7,10)(H,11,12)/t2-/m0/s1
InChIKeyZTWNTRJTNWAMJX-REOHCLBHSA-N
MW176.13 g/mol
LogP-2.97
Rot. Bonds3

About (2S)-3-hydroxy-2-(oxamoylamino)propanoic acid

(2S)-3-hydroxy-2-(oxamoylamino)propanoic acid (PubChem CID 171342285) has the molecular formula C5H8N2O5 and a molecular weight of 176.13 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-(oxamoylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-(oxamoylamino)propanoic acid
PubChem CID171342285
Molecular FormulaC5H8N2O5
Molecular Weight176.13 g/mol
Exact Mass176.04
IUPAC Name(2S)-3-hydroxy-2-(oxamoylamino)propanoic acid
SMILESNC(=O)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C5H8N2O5/c6-3(9)4(10)7-2(1-8)5(11)12/h2,8H,1H2,(H2,6,9)(H,7,10)(H,11,12)/t2-/m0/s1
InChIKeyZTWNTRJTNWAMJX-REOHCLBHSA-N
XLogP-2.97
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.13
LogP ≤ 5-2.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-2-(phosphanylcarbonylamino)propanoic acid
CID 178076766
(2R)-2-[(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80751039
(2R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxypropanoic acid
CID 44630224
2-acetamido-3-hydroxypropanoic acid;sulfane
CID 175323357
3-hydroxy-2-(propanoylamino)propanoic acid
CID 11845678
(2S)-2-[(2,2-dihydroxyacetyl)amino]-3-hydroxypropanoic acid
CID 175753352
(2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-hydroxypropanoic acid
CID 80757084
(2R)-3-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid
CID 80757457
(3S)-3-amino-4-[(1-carboxy-2-hydroxyethyl)amino]-4-oxobutanoic acid
CID 22823992
(2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]-3-hydroxypropanoic acid
CID 106346749
2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-3-hydroxypropanoic acid
CID 43357852
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid
CID 145434364

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-(oxamoylamino)propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-(oxamoylamino)propanoic acid (CID 171342285) is (2S)-3-hydroxy-2-(oxamoylamino)propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-(oxamoylamino)propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-(oxamoylamino)propanoic acid is NC(=O)C(=O)N[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-3-hydroxy-2-(oxamoylamino)propanoic acid?
The InChIKey is ZTWNTRJTNWAMJX-REOHCLBHSA-N. The full InChI is InChI=1S/C5H8N2O5/c6-3(9)4(10)7-2(1-8)5(11)12/h2,8H,1H2,(H2,6,9)(H,7,10)(H,11,12)/t2-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-(oxamoylamino)propanoic acid?
(2S)-3-hydroxy-2-(oxamoylamino)propanoic acid has a molecular weight of 176.13 g/mol, XLogP of -2.97, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-(oxamoylamino)propanoic acid is sourced from PubChem (CID 171342285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).