(2R)-2-[(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxypropanoic acid

C6H11N3O5 — CID 80751039

IUPAC(2R)-2-[(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxypropanoic acid
SMILESNC(=O)CNC(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C6H11N3O5/c7-4(11)1-8-6(14)9-3(2-10)5(12)13/h3,10H,1-2H2,(H2,7,11)(H,12,13)(H2,8,9,14)/t3-/m1/s1
InChIKeyQGLKNPILWRSINL-GSVOUGTGSA-N
MW205.17 g/mol
LogP-2.78
Rot. Bonds5

About (2R)-2-[(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxypropanoic acid

(2R)-2-[(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxypropanoic acid (PubChem CID 80751039) has the molecular formula C6H11N3O5 and a molecular weight of 205.17 g/mol. Its IUPAC name is (2R)-2-[(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxypropanoic acid
PubChem CID80751039
Molecular FormulaC6H11N3O5
Molecular Weight205.17 g/mol
Exact Mass205.07
IUPAC Name(2R)-2-[(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxypropanoic acid
SMILESNC(=O)CNC(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C6H11N3O5/c7-4(11)1-8-6(14)9-3(2-10)5(12)13/h3,10H,1-2H2,(H2,7,11)(H,12,13)(H2,8,9,14)/t3-/m1/s1
InChIKeyQGLKNPILWRSINL-GSVOUGTGSA-N
XLogP-2.78
TPSA141.75 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 5-2.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107825557
(2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid
CID 30111500
(2R)-3-hydroxy-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]propanoic acid
CID 80756456
(2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]-4-methoxy-4-oxobutanoic acid
CID 63307403
(2S)-3-hydroxy-2-(3-methylbutylcarbamoylamino)propanoic acid
CID 61185829
3-hydroxy-2-[(2-oxo-2-piperidin-1-ylethyl)carbamoylamino]propanoic acid
CID 113406386
(2R)-2-[(2-amino-2-oxoethyl)carbamoylamino]-3-methylbutanoic acid
CID 30071784
(2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-hydroxypropanoic acid
CID 80757084
(2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]-3-methylbutanoic acid
CID 30071787
(2R)-3-hydroxy-2-(prop-2-ynylcarbamoylamino)propanoic acid
CID 80751293
(2S)-3-hydroxy-2-(oxamoylamino)propanoic acid
CID 171342285
(2S)-3-hydroxy-2-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoylamino]propanoic acid
CID 113405676

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxypropanoic acid (CID 80751039) is (2R)-2-[(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxypropanoic acid is NC(=O)CNC(=O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-2-[(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxypropanoic acid?
The InChIKey is QGLKNPILWRSINL-GSVOUGTGSA-N. The full InChI is InChI=1S/C6H11N3O5/c7-4(11)1-8-6(14)9-3(2-10)5(12)13/h3,10H,1-2H2,(H2,7,11)(H,12,13)(H2,8,9,14)/t3-/m1/s1.
What are the key properties of (2R)-2-[(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxypropanoic acid?
(2R)-2-[(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxypropanoic acid has a molecular weight of 205.17 g/mol, XLogP of -2.78, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxypropanoic acid is sourced from PubChem (CID 80751039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).