(2S)-2-amino-3-(2-aminoethylamino)propanoic acid

C5H13N3O2 — CID 22839376

IUPAC(2S)-2-amino-3-(2-aminoethylamino)propanoic acid
SMILESNCCNC[C@H](N)C(=O)O
InChIInChI=1S/C5H13N3O2/c6-1-2-8-3-4(7)5(9)10/h4,8H,1-3,6-7H2,(H,9,10)/t4-/m0/s1
InChIKeyWVXAXDTZEMZHQB-BYPYZUCNSA-N
MW147.18 g/mol
LogP-2.05
Rot. Bonds5

About (2S)-2-amino-3-(2-aminoethylamino)propanoic acid

(2S)-2-amino-3-(2-aminoethylamino)propanoic acid (PubChem CID 22839376) has the molecular formula C5H13N3O2 and a molecular weight of 147.18 g/mol. Its IUPAC name is (2S)-2-amino-3-(2-aminoethylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(2-aminoethylamino)propanoic acid
PubChem CID22839376
Molecular FormulaC5H13N3O2
Molecular Weight147.18 g/mol
Exact Mass147.10
IUPAC Name(2S)-2-amino-3-(2-aminoethylamino)propanoic acid
SMILESNCCNC[C@H](N)C(=O)O
InChIInChI=1S/C5H13N3O2/c6-1-2-8-3-4(7)5(9)10/h4,8H,1-3,6-7H2,(H,9,10)/t4-/m0/s1
InChIKeyWVXAXDTZEMZHQB-BYPYZUCNSA-N
XLogP-2.05
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 5-2.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(2-aminoethylamino)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(2-aminoethylamino)propanoic acid (CID 22839376) is (2S)-2-amino-3-(2-aminoethylamino)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(2-aminoethylamino)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(2-aminoethylamino)propanoic acid is NCCNC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(2-aminoethylamino)propanoic acid?
The InChIKey is WVXAXDTZEMZHQB-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H13N3O2/c6-1-2-8-3-4(7)5(9)10/h4,8H,1-3,6-7H2,(H,9,10)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-3-(2-aminoethylamino)propanoic acid?
(2S)-2-amino-3-(2-aminoethylamino)propanoic acid has a molecular weight of 147.18 g/mol, XLogP of -2.05, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(2-aminoethylamino)propanoic acid is sourced from PubChem (CID 22839376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).