(2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid

C6H11N3O4 — CID 30111500

IUPAC(2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid
SMILESC[C@H](NC(=O)NCC(N)=O)C(=O)O
InChIInChI=1S/C6H11N3O4/c1-3(5(11)12)9-6(13)8-2-4(7)10/h3H,2H2,1H3,(H2,7,10)(H,11,12)(H2,8,9,13)/t3-/m0/s1
InChIKeyYKQDRQRYGPNQOT-VKHMYHEASA-N
MW189.17 g/mol
LogP-1.76
Rot. Bonds4

About (2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid

(2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid (PubChem CID 30111500) has the molecular formula C6H11N3O4 and a molecular weight of 189.17 g/mol. Its IUPAC name is (2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid
PubChem CID30111500
Molecular FormulaC6H11N3O4
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name(2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid
SMILESC[C@H](NC(=O)NCC(N)=O)C(=O)O
InChIInChI=1S/C6H11N3O4/c1-3(5(11)12)9-6(13)8-2-4(7)10/h3H,2H2,1H3,(H2,7,10)(H,11,12)(H2,8,9,13)/t3-/m0/s1
InChIKeyYKQDRQRYGPNQOT-VKHMYHEASA-N
XLogP-1.76
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-1.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-amino-2-oxoethyl)carbamoylamino]-3-methylbutanoic acid
CID 30071784
(2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]-3-methylbutanoic acid
CID 30071787
(2S)-2-[2-[[(1R)-1-carboxyethyl]carbamoylamino]ethylcarbamoylamino]propanoic acid
CID 11966085
(2R)-2-[(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80751039
2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]propanoic acid
CID 16785652
(2S)-2-(2-aminoethylcarbamoylamino)propanoic acid
CID 61403135
(2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107825557
2-(1-carboxyethylcarbamoylamino)propanoic acid
CID 14332788
2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid
CID 61201929
(2R)-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid
CID 102907124
(2R)-2-(2,2-dimethylpropylcarbamoylamino)propanoic acid
CID 78971835
(2S)-2-(2,2-difluoroethylcarbamoylamino)propanoic acid
CID 115408123

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid?
The IUPAC name of (2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid (CID 30111500) is (2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid.
What is the SMILES notation for (2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid?
The canonical SMILES for (2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid is C[C@H](NC(=O)NCC(N)=O)C(=O)O.
What is the InChIKey of (2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid?
The InChIKey is YKQDRQRYGPNQOT-VKHMYHEASA-N. The full InChI is InChI=1S/C6H11N3O4/c1-3(5(11)12)9-6(13)8-2-4(7)10/h3H,2H2,1H3,(H2,7,10)(H,11,12)(H2,8,9,13)/t3-/m0/s1.
What are the key properties of (2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid?
(2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid has a molecular weight of 189.17 g/mol, XLogP of -1.76, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 30111500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).