(2R,3S)-2-amino-3-chlorobutanamide

C4H9ClN2O — CID 71420306

IUPAC(2R,3S)-2-amino-3-chlorobutanamide
SMILESC[C@H](Cl)[C@H](N)C(N)=O
InChIInChI=1S/C4H9ClN2O/c1-2(5)3(6)4(7)8/h2-3H,6H2,1H3,(H2,7,8)/t2-,3-/m0/s1
InChIKeyUNXFIYHOUZQUPW-HRFVKAFMSA-N
MW136.58 g/mol
LogP-0.57
Rot. Bonds2

About (2R,3S)-2-amino-3-chlorobutanamide

(2R,3S)-2-amino-3-chlorobutanamide (PubChem CID 71420306) has the molecular formula C4H9ClN2O and a molecular weight of 136.58 g/mol. Its IUPAC name is (2R,3S)-2-amino-3-chlorobutanamide.

Molecular Properties

Compound Name(2R,3S)-2-amino-3-chlorobutanamide
PubChem CID71420306
Molecular FormulaC4H9ClN2O
Molecular Weight136.58 g/mol
Exact Mass136.04
IUPAC Name(2R,3S)-2-amino-3-chlorobutanamide
SMILESC[C@H](Cl)[C@H](N)C(N)=O
InChIInChI=1S/C4H9ClN2O/c1-2(5)3(6)4(7)8/h2-3H,6H2,1H3,(H2,7,8)/t2-,3-/m0/s1
InChIKeyUNXFIYHOUZQUPW-HRFVKAFMSA-N
XLogP-0.57
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.58
LogP ≤ 5-0.57
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

(2R,3S)-2-amino-3-hydroxybutanamide
CID 22877840
1,1-dichloroethane;urea
CID 158856998
2-methylpropanamide;bis(propan-2-one)
CID 174404145
2-aminopropanamide;ethane
CID 156828005
2-aminopropanamide;dihydrochloride
CID 19963402
(2S)-2-amino-3-methylbutanamide;(2S)-2-amino-3-methylbutanoic acid
CID 175839028
(2S)-2-amino-3-methylpentanamide
CID 10290817
(2R)-2-chloro-3-oxobutanamide
CID 98075888
(3S)-2-amino-3-methylpentanamide;sulfane
CID 159517895
2-amino-3-methylpentanamide;2,3-dimethylbutane
CID 22928550
2-amino-3,4-dimethylhexanamide
CID 131230677
2,3-dimethylbutanediamide
CID 55281411

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-amino-3-chlorobutanamide?
The IUPAC name of (2R,3S)-2-amino-3-chlorobutanamide (CID 71420306) is (2R,3S)-2-amino-3-chlorobutanamide.
What is the SMILES notation for (2R,3S)-2-amino-3-chlorobutanamide?
The canonical SMILES for (2R,3S)-2-amino-3-chlorobutanamide is C[C@H](Cl)[C@H](N)C(N)=O.
What is the InChIKey of (2R,3S)-2-amino-3-chlorobutanamide?
The InChIKey is UNXFIYHOUZQUPW-HRFVKAFMSA-N. The full InChI is InChI=1S/C4H9ClN2O/c1-2(5)3(6)4(7)8/h2-3H,6H2,1H3,(H2,7,8)/t2-,3-/m0/s1.
What are the key properties of (2R,3S)-2-amino-3-chlorobutanamide?
(2R,3S)-2-amino-3-chlorobutanamide has a molecular weight of 136.58 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-amino-3-chlorobutanamide is sourced from PubChem (CID 71420306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).