(2S)-2-[[(1S)-1-carboxyethyl]carbamoylamino]propanoic acid

C7H12N2O5 — CID 14332789

IUPAC(2S)-2-[[(1S)-1-carboxyethyl]carbamoylamino]propanoic acid
SMILESC[C@H](NC(=O)N[C@@H](C)C(=O)O)C(=O)O
InChIInChI=1S/C7H12N2O5/c1-3(5(10)11)8-7(14)9-4(2)6(12)13/h3-4H,1-2H3,(H,10,11)(H,12,13)(H2,8,9,14)/t3-,4-/m0/s1
InChIKeyUYJGDYBJLDDJIJ-IMJSIDKUSA-N
MW204.18 g/mol
LogP-0.77
Rot. Bonds4

About (2S)-2-[[(1S)-1-carboxyethyl]carbamoylamino]propanoic acid

(2S)-2-[[(1S)-1-carboxyethyl]carbamoylamino]propanoic acid (PubChem CID 14332789) has the molecular formula C7H12N2O5 and a molecular weight of 204.18 g/mol. Its IUPAC name is (2S)-2-[[(1S)-1-carboxyethyl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(1S)-1-carboxyethyl]carbamoylamino]propanoic acid
PubChem CID14332789
Molecular FormulaC7H12N2O5
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Name(2S)-2-[[(1S)-1-carboxyethyl]carbamoylamino]propanoic acid
SMILESC[C@H](NC(=O)N[C@@H](C)C(=O)O)C(=O)O
InChIInChI=1S/C7H12N2O5/c1-3(5(10)11)8-7(14)9-4(2)6(12)13/h3-4H,1-2H3,(H,10,11)(H,12,13)(H2,8,9,14)/t3-,4-/m0/s1
InChIKeyUYJGDYBJLDDJIJ-IMJSIDKUSA-N
XLogP-0.77
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 5-0.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(carbamoylamino)-3-methylbutanoic acid
CID 448879
2-(Carbamoylamino)propanoic acid
CID 426409
2-(Carbamoylamino)-3-methylbutanoic acid
CID 5151292
(2S)-2-(carbamoylamino)-3-methylbutanoic acid
CID 854021
(2S)-2-(carbamoylamino)propanoic acid
CID 1535936
2-(carbamoylamino)butanoic Acid
CID 4095663
N-Carbamoyl-Alanine
CID 1535935
Methyl 2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]propanoate
CID 12475046
2-Methyl-2-[(propylcarbamoyl)amino]propanoic acid
CID 16790848
N-(Methylcarbamoyl)glycine
CID 16786632
(2R)-2-[[(1R)-1-carboxy-2-sulfanylethyl]carbamoylamino]-3-sulfanylpropanoic acid
CID 15487954
Glycine, N-((butylamino)carbonyl)-
CID 112991

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1S)-1-carboxyethyl]carbamoylamino]propanoic acid?
The IUPAC name of (2S)-2-[[(1S)-1-carboxyethyl]carbamoylamino]propanoic acid (CID 14332789) is (2S)-2-[[(1S)-1-carboxyethyl]carbamoylamino]propanoic acid.
What is the SMILES notation for (2S)-2-[[(1S)-1-carboxyethyl]carbamoylamino]propanoic acid?
The canonical SMILES for (2S)-2-[[(1S)-1-carboxyethyl]carbamoylamino]propanoic acid is C[C@H](NC(=O)N[C@@H](C)C(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-[[(1S)-1-carboxyethyl]carbamoylamino]propanoic acid?
The InChIKey is UYJGDYBJLDDJIJ-IMJSIDKUSA-N. The full InChI is InChI=1S/C7H12N2O5/c1-3(5(10)11)8-7(14)9-4(2)6(12)13/h3-4H,1-2H3,(H,10,11)(H,12,13)(H2,8,9,14)/t3-,4-/m0/s1.
What are the key properties of (2S)-2-[[(1S)-1-carboxyethyl]carbamoylamino]propanoic acid?
(2S)-2-[[(1S)-1-carboxyethyl]carbamoylamino]propanoic acid has a molecular weight of 204.18 g/mol, XLogP of -0.77, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1S)-1-carboxyethyl]carbamoylamino]propanoic acid is sourced from PubChem (CID 14332789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).