(2S)-2-amino-N-butyl-4-chlorobutanamide

C8H17ClN2O — CID 169302216

IUPAC(2S)-2-amino-N-butyl-4-chlorobutanamide
SMILESCCCCNC(=O)[C@@H](N)CCCl
InChIInChI=1S/C8H17ClN2O/c1-2-3-6-11-8(12)7(10)4-5-9/h7H,2-6,10H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyYSXFRJLNERJGMW-ZETCQYMHSA-N
MW192.69 g/mol
LogP0.86
Rot. Bonds6

About (2S)-2-amino-N-butyl-4-chlorobutanamide

(2S)-2-amino-N-butyl-4-chlorobutanamide (PubChem CID 169302216) has the molecular formula C8H17ClN2O and a molecular weight of 192.69 g/mol. Its IUPAC name is (2S)-2-amino-N-butyl-4-chlorobutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-butyl-4-chlorobutanamide
PubChem CID169302216
Molecular FormulaC8H17ClN2O
Molecular Weight192.69 g/mol
Exact Mass192.10
IUPAC Name(2S)-2-amino-N-butyl-4-chlorobutanamide
SMILESCCCCNC(=O)[C@@H](N)CCCl
InChIInChI=1S/C8H17ClN2O/c1-2-3-6-11-8(12)7(10)4-5-9/h7H,2-6,10H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyYSXFRJLNERJGMW-ZETCQYMHSA-N
XLogP0.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-butylpentanamide
CID 82668431
(2S)-2-amino-N-butylhexanamide;hydrochloride
CID 86592163
2-amino-N-hexylhexanamide
CID 60852762
2-amino-3-chloro-N-pentylpropanamide
CID 18966849
2-amino-N-butyl-4-methylsulfonylbutanamide
CID 24690618
(2S)-2-amino-N-dodecylhexanamide;hydrochloride
CID 135364190
2,3-diamino-N-octadecylpropanamide
CID 158457421
4-(2-aminohexanoylamino)butanoic acid
CID 61157473
(2S)-2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide
CID 22801050
(2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
CID 103831039
(2R)-2-amino-N-butyl-3-ethylsulfanylpropanamide
CID 13059403
2-amino-N-propylpentanamide
CID 43649977

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-butyl-4-chlorobutanamide?
The IUPAC name of (2S)-2-amino-N-butyl-4-chlorobutanamide (CID 169302216) is (2S)-2-amino-N-butyl-4-chlorobutanamide.
What is the SMILES notation for (2S)-2-amino-N-butyl-4-chlorobutanamide?
The canonical SMILES for (2S)-2-amino-N-butyl-4-chlorobutanamide is CCCCNC(=O)[C@@H](N)CCCl.
What is the InChIKey of (2S)-2-amino-N-butyl-4-chlorobutanamide?
The InChIKey is YSXFRJLNERJGMW-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17ClN2O/c1-2-3-6-11-8(12)7(10)4-5-9/h7H,2-6,10H2,1H3,(H,11,12)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N-butyl-4-chlorobutanamide?
(2S)-2-amino-N-butyl-4-chlorobutanamide has a molecular weight of 192.69 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-butyl-4-chlorobutanamide is sourced from PubChem (CID 169302216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).