(2S)-2-(2-aminoethylcarbamoylamino)-3-hydroxypropanoic acid

C6H13N3O4 — CID 61403282

IUPAC(2S)-2-(2-aminoethylcarbamoylamino)-3-hydroxypropanoic acid
SMILESNCCNC(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C6H13N3O4/c7-1-2-8-6(13)9-4(3-10)5(11)12/h4,10H,1-3,7H2,(H,11,12)(H2,8,9,13)/t4-/m0/s1
InChIKeySQWIQGPBJMZDBB-BYPYZUCNSA-N
MW191.19 g/mol
LogP-2.31
Rot. Bonds5

About (2S)-2-(2-aminoethylcarbamoylamino)-3-hydroxypropanoic acid

(2S)-2-(2-aminoethylcarbamoylamino)-3-hydroxypropanoic acid (PubChem CID 61403282) has the molecular formula C6H13N3O4 and a molecular weight of 191.19 g/mol. Its IUPAC name is (2S)-2-(2-aminoethylcarbamoylamino)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-(2-aminoethylcarbamoylamino)-3-hydroxypropanoic acid
PubChem CID61403282
Molecular FormulaC6H13N3O4
Molecular Weight191.19 g/mol
Exact Mass191.09
IUPAC Name(2S)-2-(2-aminoethylcarbamoylamino)-3-hydroxypropanoic acid
SMILESNCCNC(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C6H13N3O4/c7-1-2-8-6(13)9-4(3-10)5(11)12/h4,10H,1-3,7H2,(H,11,12)(H2,8,9,13)/t4-/m0/s1
InChIKeySQWIQGPBJMZDBB-BYPYZUCNSA-N
XLogP-2.31
TPSA124.68 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-2.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-aminoethylcarbamoylamino)-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-(2-aminoethylcarbamoylamino)-3-hydroxypropanoic acid (CID 61403282) is (2S)-2-(2-aminoethylcarbamoylamino)-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-(2-aminoethylcarbamoylamino)-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-(2-aminoethylcarbamoylamino)-3-hydroxypropanoic acid is NCCNC(=O)N[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-2-(2-aminoethylcarbamoylamino)-3-hydroxypropanoic acid?
The InChIKey is SQWIQGPBJMZDBB-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H13N3O4/c7-1-2-8-6(13)9-4(3-10)5(11)12/h4,10H,1-3,7H2,(H,11,12)(H2,8,9,13)/t4-/m0/s1.
What are the key properties of (2S)-2-(2-aminoethylcarbamoylamino)-3-hydroxypropanoic acid?
(2S)-2-(2-aminoethylcarbamoylamino)-3-hydroxypropanoic acid has a molecular weight of 191.19 g/mol, XLogP of -2.31, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-aminoethylcarbamoylamino)-3-hydroxypropanoic acid is sourced from PubChem (CID 61403282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).