2-[chloro(ethyl)amino]propanoic acid

C5H10ClNO2 — CID 21446192

IUPAC2-[chloro(ethyl)amino]propanoic acid
SMILESCCN(Cl)C(C)C(=O)O
InChIInChI=1S/C5H10ClNO2/c1-3-7(6)4(2)5(8)9/h4H,3H2,1-2H3,(H,8,9)
InChIKeyYTWTWGDEVMBWAE-UHFFFAOYSA-N
MW151.59 g/mol
LogP0.94
Rot. Bonds3

About 2-[chloro(ethyl)amino]propanoic acid

2-[chloro(ethyl)amino]propanoic acid (PubChem CID 21446192) has the molecular formula C5H10ClNO2 and a molecular weight of 151.59 g/mol. Its IUPAC name is 2-[chloro(ethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[chloro(ethyl)amino]propanoic acid
PubChem CID21446192
Molecular FormulaC5H10ClNO2
Molecular Weight151.59 g/mol
Exact Mass151.04
IUPAC Name2-[chloro(ethyl)amino]propanoic acid
SMILESCCN(Cl)C(C)C(=O)O
InChIInChI=1S/C5H10ClNO2/c1-3-7(6)4(2)5(8)9/h4H,3H2,1-2H3,(H,8,9)
InChIKeyYTWTWGDEVMBWAE-UHFFFAOYSA-N
XLogP0.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.59
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(diethylamino)propanoic acid
CID 18664197
2-[3-(dimethylamino)propyl-ethylamino]propanoic acid
CID 102994663
2-[(2-ethoxy-2-oxoacetyl)-ethylamino]propanoic acid
CID 175018742
N,N-dimethylethanamine;2-hydroxypropanoic acid
CID 174810971
2-[2-carboxyethyl(propyl)amino]propanoic acid
CID 82328060
(2R)-2-(3,5-dichloro-N-ethylanilino)propanoic acid
CID 125045090
(2S)-2-[propan-2-yl(propyl)amino]propanoic acid
CID 151330879
2-(dimethylamino)propanoic acid;ethanesulfonic acid
CID 90221086
acetic acid;N,N-diethylbutan-2-amine;hydroiodide
CID 87971936
(2S)-2-(dimethylamino)propanoic acid;hydrochloride
CID 71350321
2-methylpropanoic acid;propanoic acid;zirconium
CID 175540566
2-hydroxypropanoic acid;propanoic acid
CID 175004384

Frequently Asked Questions

What is the IUPAC name of 2-[chloro(ethyl)amino]propanoic acid?
The IUPAC name of 2-[chloro(ethyl)amino]propanoic acid (CID 21446192) is 2-[chloro(ethyl)amino]propanoic acid.
What is the SMILES notation for 2-[chloro(ethyl)amino]propanoic acid?
The canonical SMILES for 2-[chloro(ethyl)amino]propanoic acid is CCN(Cl)C(C)C(=O)O.
What is the InChIKey of 2-[chloro(ethyl)amino]propanoic acid?
The InChIKey is YTWTWGDEVMBWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClNO2/c1-3-7(6)4(2)5(8)9/h4H,3H2,1-2H3,(H,8,9).
What are the key properties of 2-[chloro(ethyl)amino]propanoic acid?
2-[chloro(ethyl)amino]propanoic acid has a molecular weight of 151.59 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(ethyl)amino]propanoic acid is sourced from PubChem (CID 21446192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).