(2R)-2-amino-4-(3-chlorohexyl)pentanedioic acid

C11H20ClNO4 — CID 175027829

IUPAC(2R)-2-amino-4-(3-chlorohexyl)pentanedioic acid
SMILESCCCC(Cl)CCC(C[C@@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C11H20ClNO4/c1-2-3-8(12)5-4-7(10(14)15)6-9(13)11(16)17/h7-9H,2-6,13H2,1H3,(H,14,15)(H,16,17)/t7?,8?,9-/m1/s1
InChIKeyYGHQZBGJQCCOCU-AMDVSUOASA-N
MW265.74 g/mol
LogP1.68
Rot. Bonds9

About (2R)-2-amino-4-(3-chlorohexyl)pentanedioic acid

(2R)-2-amino-4-(3-chlorohexyl)pentanedioic acid (PubChem CID 175027829) has the molecular formula C11H20ClNO4 and a molecular weight of 265.74 g/mol. Its IUPAC name is (2R)-2-amino-4-(3-chlorohexyl)pentanedioic acid.

Molecular Properties

Compound Name(2R)-2-amino-4-(3-chlorohexyl)pentanedioic acid
PubChem CID175027829
Molecular FormulaC11H20ClNO4
Molecular Weight265.74 g/mol
Exact Mass265.11
IUPAC Name(2R)-2-amino-4-(3-chlorohexyl)pentanedioic acid
SMILESCCCC(Cl)CCC(C[C@@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C11H20ClNO4/c1-2-3-8(12)5-4-7(10(14)15)6-9(13)11(16)17/h7-9H,2-6,13H2,1H3,(H,14,15)(H,16,17)/t7?,8?,9-/m1/s1
InChIKeyYGHQZBGJQCCOCU-AMDVSUOASA-N
XLogP1.68
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-4-ethylpentanedioic acid
CID 57469863
5-chloro-2-methyloctanoic acid
CID 142757050
(2R)-2-amino(311C)pentanoic acid
CID 55291456
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
(2S,4R)-2-amino-4-(3-fluoropropyl)pentanedioic acid
CID 88947507
2-amino-4-(aminomethyl)pentanedioic acid
CID 22326353
(2S)-2-amino-4-chloropentanoic acid;hydrochloride
CID 141325915
(2S,4R)-4-carbamoyl-2-propylhexanoic acid
CID 59815875
4,7,8,12,14-pentachloro-2-propylhexadecanoic acid
CID 172773066
(2S,4S)-2-amino-5,5-dichloro-4-methylpentanoic acid
CID 11390021
(2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid
CID 158530553
(2S)-2,6-diamino-5-chlorohexanoic acid
CID 87151672

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-(3-chlorohexyl)pentanedioic acid?
The IUPAC name of (2R)-2-amino-4-(3-chlorohexyl)pentanedioic acid (CID 175027829) is (2R)-2-amino-4-(3-chlorohexyl)pentanedioic acid.
What is the SMILES notation for (2R)-2-amino-4-(3-chlorohexyl)pentanedioic acid?
The canonical SMILES for (2R)-2-amino-4-(3-chlorohexyl)pentanedioic acid is CCCC(Cl)CCC(C[C@@H](N)C(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-amino-4-(3-chlorohexyl)pentanedioic acid?
The InChIKey is YGHQZBGJQCCOCU-AMDVSUOASA-N. The full InChI is InChI=1S/C11H20ClNO4/c1-2-3-8(12)5-4-7(10(14)15)6-9(13)11(16)17/h7-9H,2-6,13H2,1H3,(H,14,15)(H,16,17)/t7?,8?,9-/m1/s1.
What are the key properties of (2R)-2-amino-4-(3-chlorohexyl)pentanedioic acid?
(2R)-2-amino-4-(3-chlorohexyl)pentanedioic acid has a molecular weight of 265.74 g/mol, XLogP of 1.68, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-(3-chlorohexyl)pentanedioic acid is sourced from PubChem (CID 175027829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).