(2S)-2-(2-aminoethylcarbamoylamino)propanoic acid

C6H13N3O3 — CID 61403135

IUPAC(2S)-2-(2-aminoethylcarbamoylamino)propanoic acid
SMILESC[C@H](NC(=O)NCCN)C(=O)O
InChIInChI=1S/C6H13N3O3/c1-4(5(10)11)9-6(12)8-3-2-7/h4H,2-3,7H2,1H3,(H,10,11)(H2,8,9,12)/t4-/m0/s1
InChIKeyCEKCANMGNLSVNG-BYPYZUCNSA-N
MW175.19 g/mol
LogP-1.28
Rot. Bonds4

About (2S)-2-(2-aminoethylcarbamoylamino)propanoic acid

(2S)-2-(2-aminoethylcarbamoylamino)propanoic acid (PubChem CID 61403135) has the molecular formula C6H13N3O3 and a molecular weight of 175.19 g/mol. Its IUPAC name is (2S)-2-(2-aminoethylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(2-aminoethylcarbamoylamino)propanoic acid
PubChem CID61403135
Molecular FormulaC6H13N3O3
Molecular Weight175.19 g/mol
Exact Mass175.10
IUPAC Name(2S)-2-(2-aminoethylcarbamoylamino)propanoic acid
SMILESC[C@H](NC(=O)NCCN)C(=O)O
InChIInChI=1S/C6H13N3O3/c1-4(5(10)11)9-6(12)8-3-2-7/h4H,2-3,7H2,1H3,(H,10,11)(H2,8,9,12)/t4-/m0/s1
InChIKeyCEKCANMGNLSVNG-BYPYZUCNSA-N
XLogP-1.28
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 5-1.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[2-[[(1R)-1-carboxyethyl]carbamoylamino]ethylcarbamoylamino]propanoic acid
CID 11966085
1-(2-aminoethyl)-3-propan-2-ylurea
CID 13030915
2-(2-aminoethylcarbamoylamino)-3-hydroxybutanoic acid
CID 61403091
(2S)-2-[2-(diethylamino)ethylcarbamoylamino]propanoic acid
CID 61184562
(2S)-2-[4-(dimethylamino)butylcarbamoylamino]propanoic acid
CID 78979186
(2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid
CID 30111500
(2S)-2-(2-propan-2-yloxyethylcarbamoylamino)propanoic acid
CID 104763805
(2R)-2-(2-aminoethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 103927689
2-(2-propylsulfonylethylcarbamoylamino)propanoic acid
CID 106722813
2-(1-carboxyethylcarbamoylamino)propanoic acid
CID 14332788
(2R)-2-[(5-amino-2-methylpentanoyl)amino]propanoic acid
CID 103868754
(2R)-2-(3-methylsulfinylbutylcarbamoylamino)propanoic acid
CID 104866570

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-aminoethylcarbamoylamino)propanoic acid?
The IUPAC name of (2S)-2-(2-aminoethylcarbamoylamino)propanoic acid (CID 61403135) is (2S)-2-(2-aminoethylcarbamoylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(2-aminoethylcarbamoylamino)propanoic acid?
The canonical SMILES for (2S)-2-(2-aminoethylcarbamoylamino)propanoic acid is C[C@H](NC(=O)NCCN)C(=O)O.
What is the InChIKey of (2S)-2-(2-aminoethylcarbamoylamino)propanoic acid?
The InChIKey is CEKCANMGNLSVNG-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H13N3O3/c1-4(5(10)11)9-6(12)8-3-2-7/h4H,2-3,7H2,1H3,(H,10,11)(H2,8,9,12)/t4-/m0/s1.
What are the key properties of (2S)-2-(2-aminoethylcarbamoylamino)propanoic acid?
(2S)-2-(2-aminoethylcarbamoylamino)propanoic acid has a molecular weight of 175.19 g/mol, XLogP of -1.28, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-aminoethylcarbamoylamino)propanoic acid is sourced from PubChem (CID 61403135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).