2-(2-aminoethylamino)propanoic acid;hydrochloride

C5H13ClN2O2 — CID 175693508

IUPAC2-(2-aminoethylamino)propanoic acid;hydrochloride
SMILESCC(NCCN)C(=O)O.Cl
InChIInChI=1S/C5H12N2O2.ClH/c1-4(5(8)9)7-3-2-6;/h4,7H,2-3,6H2,1H3,(H,8,9);1H
InChIKeyXYWBHVJNJPTVAF-UHFFFAOYSA-N
MW168.62 g/mol
LogP-0.57
Rot. Bonds4

About 2-(2-aminoethylamino)propanoic acid;hydrochloride

2-(2-aminoethylamino)propanoic acid;hydrochloride (PubChem CID 175693508) has the molecular formula C5H13ClN2O2 and a molecular weight of 168.62 g/mol. Its IUPAC name is 2-(2-aminoethylamino)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethylamino)propanoic acid;hydrochloride
PubChem CID175693508
Molecular FormulaC5H13ClN2O2
Molecular Weight168.62 g/mol
Exact Mass168.07
IUPAC Name2-(2-aminoethylamino)propanoic acid;hydrochloride
SMILESCC(NCCN)C(=O)O.Cl
InChIInChI=1S/C5H12N2O2.ClH/c1-4(5(8)9)7-3-2-6;/h4,7H,2-3,6H2,1H3,(H,8,9);1H
InChIKeyXYWBHVJNJPTVAF-UHFFFAOYSA-N
XLogP-0.57
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.62
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-aminobutylamino)propanoic acid
CID 45082347
(2S)-2-(2-fluoroethylamino)propanoic acid
CID 83192654
2-(2-aminoethylamino)propanamide
CID 20551229
tris(2-aminoethanol);2-(dodecylamino)propanoic acid
CID 173055102
(2S)-2-(2-aminoethylamino)-3-methylbutanoic acid
CID 45082351
2-(3-methylbutylamino)propanoic acid
CID 16769163
(2R)-2-(3-methylbutylamino)propanoic acid
CID 20848021
(2R)-2-(ethylamino)propanoic acid;hydrochloride
CID 87428202
2-(2-aminoethylamino)-N-prop-2-ynylpropanamide
CID 62140900
(2S)-2-(2-aminoethylcarbamoylamino)propanoic acid
CID 61403135
(2S,3S)-2-(2-aminoethylamino)-3-methylpentanoic acid
CID 71365518
2-(4-aminopentylamino)propanoic acid
CID 142180855

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)propanoic acid;hydrochloride?
The IUPAC name of 2-(2-aminoethylamino)propanoic acid;hydrochloride (CID 175693508) is 2-(2-aminoethylamino)propanoic acid;hydrochloride.
What is the SMILES notation for 2-(2-aminoethylamino)propanoic acid;hydrochloride?
The canonical SMILES for 2-(2-aminoethylamino)propanoic acid;hydrochloride is CC(NCCN)C(=O)O.Cl.
What is the InChIKey of 2-(2-aminoethylamino)propanoic acid;hydrochloride?
The InChIKey is XYWBHVJNJPTVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2.ClH/c1-4(5(8)9)7-3-2-6;/h4,7H,2-3,6H2,1H3,(H,8,9);1H.
What are the key properties of 2-(2-aminoethylamino)propanoic acid;hydrochloride?
2-(2-aminoethylamino)propanoic acid;hydrochloride has a molecular weight of 168.62 g/mol, XLogP of -0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)propanoic acid;hydrochloride is sourced from PubChem (CID 175693508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).