2-amino-N-(2-chloroethyl)-3-hydroxypropanamide

C5H11ClN2O2 — CID 55301711

IUPAC2-amino-N-(2-chloroethyl)-3-hydroxypropanamide
SMILESNC(CO)C(=O)NCCCl
InChIInChI=1S/C5H11ClN2O2/c6-1-2-8-5(10)4(7)3-9/h4,9H,1-3,7H2,(H,8,10)
InChIKeyJWWSHRXEQXZYMN-UHFFFAOYSA-N
MW166.61 g/mol
LogP-1.34
Rot. Bonds4

About 2-amino-N-(2-chloroethyl)-3-hydroxypropanamide

2-amino-N-(2-chloroethyl)-3-hydroxypropanamide (PubChem CID 55301711) has the molecular formula C5H11ClN2O2 and a molecular weight of 166.61 g/mol. Its IUPAC name is 2-amino-N-(2-chloroethyl)-3-hydroxypropanamide.

Molecular Properties

Compound Name2-amino-N-(2-chloroethyl)-3-hydroxypropanamide
PubChem CID55301711
Molecular FormulaC5H11ClN2O2
Molecular Weight166.61 g/mol
Exact Mass166.05
IUPAC Name2-amino-N-(2-chloroethyl)-3-hydroxypropanamide
SMILESNC(CO)C(=O)NCCCl
InChIInChI=1S/C5H11ClN2O2/c6-1-2-8-5(10)4(7)3-9/h4,9H,1-3,7H2,(H,8,10)
InChIKeyJWWSHRXEQXZYMN-UHFFFAOYSA-N
XLogP-1.34
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.61
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-(2-chloroethyl)propanamide
CID 55302965
2-amino-3-hydroxy-N-(2-methoxyethyl)propanamide
CID 59658304
(2R)-2-amino-3-hydroxy-N-octylpropanamide
CID 82675053
N-(2-chloroethyl)-2-methylpropanamide
CID 21034170
2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]acetic acid
CID 3246319
2-amino-N-(2-cyclopentylethyl)-3-hydroxypropanamide
CID 115180115
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-hydroxypropanamide
CID 10924229
(2S)-2-amino-N-(2-cyclohexylethyl)-3-hydroxypropanamide
CID 70364930
(2S)-2-amino-N-butyl-4-chlorobutanamide
CID 169302216
2-amino-3-hydroxy-N-[2-(4-methylphenyl)ethyl]propanamide
CID 115180033
(2R)-2-amino-N-(2-cyclooctylethyl)-3-hydroxypropanamide;hydrochloride
CID 154912241
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxypropanamide
CID 115180056

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloroethyl)-3-hydroxypropanamide?
The IUPAC name of 2-amino-N-(2-chloroethyl)-3-hydroxypropanamide (CID 55301711) is 2-amino-N-(2-chloroethyl)-3-hydroxypropanamide.
What is the SMILES notation for 2-amino-N-(2-chloroethyl)-3-hydroxypropanamide?
The canonical SMILES for 2-amino-N-(2-chloroethyl)-3-hydroxypropanamide is NC(CO)C(=O)NCCCl.
What is the InChIKey of 2-amino-N-(2-chloroethyl)-3-hydroxypropanamide?
The InChIKey is JWWSHRXEQXZYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClN2O2/c6-1-2-8-5(10)4(7)3-9/h4,9H,1-3,7H2,(H,8,10).
What are the key properties of 2-amino-N-(2-chloroethyl)-3-hydroxypropanamide?
2-amino-N-(2-chloroethyl)-3-hydroxypropanamide has a molecular weight of 166.61 g/mol, XLogP of -1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chloroethyl)-3-hydroxypropanamide is sourced from PubChem (CID 55301711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).