2-amino-6-chlorohexanoic acid

C6H12ClNO2 — CID 14059993

IUPAC2-amino-6-chlorohexanoic acid
SMILESNC(CCCCCl)C(=O)O
InChIInChI=1S/C6H12ClNO2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,8H2,(H,9,10)
InChIKeyRCDBKMKLHROURS-UHFFFAOYSA-N
MW165.62 g/mol
LogP0.81
Rot. Bonds5

About 2-amino-6-chlorohexanoic acid

2-amino-6-chlorohexanoic acid (PubChem CID 14059993) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is 2-amino-6-chlorohexanoic acid.

Molecular Properties

Compound Name2-amino-6-chlorohexanoic acid
PubChem CID14059993
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Name2-amino-6-chlorohexanoic acid
SMILESNC(CCCCCl)C(=O)O
InChIInChI=1S/C6H12ClNO2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,8H2,(H,9,10)
InChIKeyRCDBKMKLHROURS-UHFFFAOYSA-N
XLogP0.81
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 50.81
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

(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
1-chloropentane;(2S)-2,6-diaminohexanoic acid
CID 174996013
2,6-diamino-13-chloro-7-oxotridecanoic acid
CID 155319740
2,6-diaminoheptanedioic acid
CID 865
(2S)-2-amino-4-chlorobutanoic acid;hydrochloride
CID 87716016
(2R)-2-amino-6-hydroxyhexanoic acid
CID 5288041
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
2,10,10-triaminodecanoic acid
CID 141091504
2,6-diaminohexanoic acid;1,3-dichloropropan-2-one
CID 22498839
(2R)-2-amino-4-(3-chloropropylsulfanyl)butanoic acid
CID 87113695
(2S)-2-amino-4-(3-chloropropylsulfanyl)butanoic acid
CID 87113694

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chlorohexanoic acid?
The IUPAC name of 2-amino-6-chlorohexanoic acid (CID 14059993) is 2-amino-6-chlorohexanoic acid.
What is the SMILES notation for 2-amino-6-chlorohexanoic acid?
The canonical SMILES for 2-amino-6-chlorohexanoic acid is NC(CCCCCl)C(=O)O.
What is the InChIKey of 2-amino-6-chlorohexanoic acid?
The InChIKey is RCDBKMKLHROURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,8H2,(H,9,10).
What are the key properties of 2-amino-6-chlorohexanoic acid?
2-amino-6-chlorohexanoic acid has a molecular weight of 165.62 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chlorohexanoic acid is sourced from PubChem (CID 14059993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).