2-[(1R)-2-chloro-1-hydroxyethyl]pentanoic acid

C7H13ClO3 — CID 18610885

IUPAC2-[(1R)-2-chloro-1-hydroxyethyl]pentanoic acid
SMILESCCCC(C(=O)O)[C@@H](O)CCl
InChIInChI=1S/C7H13ClO3/c1-2-3-5(7(10)11)6(9)4-8/h5-6,9H,2-4H2,1H3,(H,10,11)/t5?,6-/m0/s1
InChIKeyONGODPMHDVVYNF-GDVGLLTNSA-N
MW180.63 g/mol
LogP1.09
Rot. Bonds5

About 2-[(1R)-2-chloro-1-hydroxyethyl]pentanoic acid

2-[(1R)-2-chloro-1-hydroxyethyl]pentanoic acid (PubChem CID 18610885) has the molecular formula C7H13ClO3 and a molecular weight of 180.63 g/mol. Its IUPAC name is 2-[(1R)-2-chloro-1-hydroxyethyl]pentanoic acid.

Molecular Properties

Compound Name2-[(1R)-2-chloro-1-hydroxyethyl]pentanoic acid
PubChem CID18610885
Molecular FormulaC7H13ClO3
Molecular Weight180.63 g/mol
Exact Mass180.06
IUPAC Name2-[(1R)-2-chloro-1-hydroxyethyl]pentanoic acid
SMILESCCCC(C(=O)O)[C@@H](O)CCl
InChIInChI=1S/C7H13ClO3/c1-2-3-5(7(10)11)6(9)4-8/h5-6,9H,2-4H2,1H3,(H,10,11)/t5?,6-/m0/s1
InChIKeyONGODPMHDVVYNF-GDVGLLTNSA-N
XLogP1.09
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.63
LogP ≤ 51.09
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

2-(2-bromo-1-hydroxyethyl)pentanoic acid
CID 87961600
3-hydroxy-5,5-dimethyl-2-propylhexanoic acid
CID 83043371
(2R)-pentane-1,1,2-tricarboxylic acid
CID 54153831
ethane;2-propan-2-ylpentanoic acid
CID 175540570
(2R,3S)-3-hydroxy-2-propylpent-4-enoic acid
CID 135047760
3-methyl-2-propylpentanoic acid
CID 54305821
2-ethyl-3-hydroxyoctanoic acid
CID 22508303
3-hydroxy-2-octyldodecanoic acid
CID 86181750
(2R,3S)-2-dodecyl-3-hydroxyhexadecanoic acid
CID 129320456
2-(1-hydroxyethyl)nonanoic acid
CID 87790479
(2S,3S)-2-bromo-3-hydroxyhexanoic acid
CID 131169369
(2S)-5-chloro-3-hydroxy-2-methylpentanoic acid
CID 87872460

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2-chloro-1-hydroxyethyl]pentanoic acid?
The IUPAC name of 2-[(1R)-2-chloro-1-hydroxyethyl]pentanoic acid (CID 18610885) is 2-[(1R)-2-chloro-1-hydroxyethyl]pentanoic acid.
What is the SMILES notation for 2-[(1R)-2-chloro-1-hydroxyethyl]pentanoic acid?
The canonical SMILES for 2-[(1R)-2-chloro-1-hydroxyethyl]pentanoic acid is CCCC(C(=O)O)[C@@H](O)CCl.
What is the InChIKey of 2-[(1R)-2-chloro-1-hydroxyethyl]pentanoic acid?
The InChIKey is ONGODPMHDVVYNF-GDVGLLTNSA-N. The full InChI is InChI=1S/C7H13ClO3/c1-2-3-5(7(10)11)6(9)4-8/h5-6,9H,2-4H2,1H3,(H,10,11)/t5?,6-/m0/s1.
What are the key properties of 2-[(1R)-2-chloro-1-hydroxyethyl]pentanoic acid?
2-[(1R)-2-chloro-1-hydroxyethyl]pentanoic acid has a molecular weight of 180.63 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2-chloro-1-hydroxyethyl]pentanoic acid is sourced from PubChem (CID 18610885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).