(2R)-2-(chloroamino)-N,3-dimethylbutanamide

C6H13ClN2O — CID 88902514

IUPAC(2R)-2-(chloroamino)-N,3-dimethylbutanamide
SMILESCNC(=O)[C@H](NCl)C(C)C
InChIInChI=1S/C6H13ClN2O/c1-4(2)5(9-7)6(10)8-3/h4-5,9H,1-3H3,(H,8,10)/t5-/m1/s1
InChIKeyLXDGBOVNDKPTLP-RXMQYKEDSA-N
MW164.64 g/mol
LogP0.50
Rot. Bonds3

About (2R)-2-(chloroamino)-N,3-dimethylbutanamide

(2R)-2-(chloroamino)-N,3-dimethylbutanamide (PubChem CID 88902514) has the molecular formula C6H13ClN2O and a molecular weight of 164.64 g/mol. Its IUPAC name is (2R)-2-(chloroamino)-N,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-(chloroamino)-N,3-dimethylbutanamide
PubChem CID88902514
Molecular FormulaC6H13ClN2O
Molecular Weight164.64 g/mol
Exact Mass164.07
IUPAC Name(2R)-2-(chloroamino)-N,3-dimethylbutanamide
SMILESCNC(=O)[C@H](NCl)C(C)C
InChIInChI=1S/C6H13ClN2O/c1-4(2)5(9-7)6(10)8-3/h4-5,9H,1-3H3,(H,8,10)/t5-/m1/s1
InChIKeyLXDGBOVNDKPTLP-RXMQYKEDSA-N
XLogP0.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.64
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(chloroamino)-N-methylpropanamide
CID 19827989
(3S)-3-(chloroamino)-4-methylpentan-2-one
CID 58773466
(2S)-2-(chloroamino)-3-methyl-N-phenylbutanamide
CID 88902411
(2S)-3-methyl-2-(methylamino)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide
CID 145135261
(2S)-2-[[hydroxy(methoxy)methyl]amino]-N,3-dimethylbutanamide
CID 90299785
(2R)-2-chloro-N-methylpropanamide
CID 7130812
3-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid
CID 54955611
2-(1,3-dihydroxybutylamino)-N,3-dimethylbutanamide
CID 91573505
(2R)-N-benzyl-2-(chloroamino)-3-methylbutanamide
CID 88902404
5-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]hexanamide
CID 146517470
(2S)-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide;ethane;molecular hydrogen
CID 169106352
2-[[(E)-3-(2-chlorophenyl)but-2-enoyl]amino]-N,3-dimethylbutanamide
CID 132967837

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(chloroamino)-N,3-dimethylbutanamide?
The IUPAC name of (2R)-2-(chloroamino)-N,3-dimethylbutanamide (CID 88902514) is (2R)-2-(chloroamino)-N,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-(chloroamino)-N,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-(chloroamino)-N,3-dimethylbutanamide is CNC(=O)[C@H](NCl)C(C)C.
What is the InChIKey of (2R)-2-(chloroamino)-N,3-dimethylbutanamide?
The InChIKey is LXDGBOVNDKPTLP-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H13ClN2O/c1-4(2)5(9-7)6(10)8-3/h4-5,9H,1-3H3,(H,8,10)/t5-/m1/s1.
What are the key properties of (2R)-2-(chloroamino)-N,3-dimethylbutanamide?
(2R)-2-(chloroamino)-N,3-dimethylbutanamide has a molecular weight of 164.64 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(chloroamino)-N,3-dimethylbutanamide is sourced from PubChem (CID 88902514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).