(2S)-2-amino-N-(2-chloroethyl)propanamide

C5H11ClN2O — CID 55302965

IUPAC(2S)-2-amino-N-(2-chloroethyl)propanamide
SMILESC[C@H](N)C(=O)NCCCl
InChIInChI=1S/C5H11ClN2O/c1-4(7)5(9)8-3-2-6/h4H,2-3,7H2,1H3,(H,8,9)/t4-/m0/s1
InChIKeyTVHVPGCACWTSSZ-BYPYZUCNSA-N
MW150.61 g/mol
LogP-0.31
Rot. Bonds3

About (2S)-2-amino-N-(2-chloroethyl)propanamide

(2S)-2-amino-N-(2-chloroethyl)propanamide (PubChem CID 55302965) has the molecular formula C5H11ClN2O and a molecular weight of 150.61 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-chloroethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-chloroethyl)propanamide
PubChem CID55302965
Molecular FormulaC5H11ClN2O
Molecular Weight150.61 g/mol
Exact Mass150.06
IUPAC Name(2S)-2-amino-N-(2-chloroethyl)propanamide
SMILESC[C@H](N)C(=O)NCCCl
InChIInChI=1S/C5H11ClN2O/c1-4(7)5(9)8-3-2-6/h4H,2-3,7H2,1H3,(H,8,9)/t4-/m0/s1
InChIKeyTVHVPGCACWTSSZ-BYPYZUCNSA-N
XLogP-0.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.61
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride
CID 18651575
N-(2-chloroethyl)-2-methylpropanamide
CID 21034170
2-amino-N-(2-chloroethyl)-3-hydroxypropanamide
CID 55301711
(2R)-2-amino-N-(2-fluoroethyl)propanamide
CID 90216538
2-amino-N-propylpropanamide;ethane
CID 142837247
(2S)-2-amino-N-butyl(113C)propanamide
CID 157365112
(2S)-2-amino-N-butylpropan(15N)amide
CID 158456310
(2S)-2-amino-N-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethyldisulfanyl]ethyl]propanamide
CID 18631474
(2S)-2-amino-5-(2-chloroethylamino)-3-methyl-5-oxopentanoic acid
CID 88754994
(2R)-2-amino-N-(4-hydroxybutyl)propanamide
CID 106842086
(2R)-2-amino-N-[2-(dimethylamino)ethyl]propanamide
CID 40614324
2-amino-N-(2-methoxyethyl)propanamide
CID 24703832

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-chloroethyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(2-chloroethyl)propanamide (CID 55302965) is (2S)-2-amino-N-(2-chloroethyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-chloroethyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(2-chloroethyl)propanamide is C[C@H](N)C(=O)NCCCl.
What is the InChIKey of (2S)-2-amino-N-(2-chloroethyl)propanamide?
The InChIKey is TVHVPGCACWTSSZ-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H11ClN2O/c1-4(7)5(9)8-3-2-6/h4H,2-3,7H2,1H3,(H,8,9)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-chloroethyl)propanamide?
(2S)-2-amino-N-(2-chloroethyl)propanamide has a molecular weight of 150.61 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-chloroethyl)propanamide is sourced from PubChem (CID 55302965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).