(E)-4-chloro-2-hydroxypent-3-enoic acid

C5H7ClO3 — CID 87704330

IUPAC(E)-4-chloro-2-hydroxypent-3-enoic acid
SMILESC/C(Cl)=C\C(O)C(=O)O
InChIInChI=1S/C5H7ClO3/c1-3(6)2-4(7)5(8)9/h2,4,7H,1H3,(H,8,9)/b3-2+
InChIKeyLKYKTTJZSMGJRK-NSCUHMNNSA-N
MW150.56 g/mol
LogP0.57
Rot. Bonds2

About (E)-4-chloro-2-hydroxypent-3-enoic acid

(E)-4-chloro-2-hydroxypent-3-enoic acid (PubChem CID 87704330) has the molecular formula C5H7ClO3 and a molecular weight of 150.56 g/mol. Its IUPAC name is (E)-4-chloro-2-hydroxypent-3-enoic acid.

Molecular Properties

Compound Name(E)-4-chloro-2-hydroxypent-3-enoic acid
PubChem CID87704330
Molecular FormulaC5H7ClO3
Molecular Weight150.56 g/mol
Exact Mass150.01
IUPAC Name(E)-4-chloro-2-hydroxypent-3-enoic acid
SMILESC/C(Cl)=C\C(O)C(=O)O
InChIInChI=1S/C5H7ClO3/c1-3(6)2-4(7)5(8)9/h2,4,7H,1H3,(H,8,9)/b3-2+
InChIKeyLKYKTTJZSMGJRK-NSCUHMNNSA-N
XLogP0.57
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.56
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-2-chloro-4-hydroxypent-2-enedioic acid
CID 101007993
2,3-dichlorobutanoic acid
CID 534513
acetic acid;methanetriol
CID 174483633
(Z)-2-chloro-4-dichlorophosphorylpent-2-ene
CID 23264295
(Z)-3-chlorobut-2-enoic acid;gallane
CID 173230251
fluoromethane;2-hydroxypropanoic acid
CID 174688580
5-hydroxy-2,4-dimethylhex-2-enoic acid
CID 54037890
2-hydroxypropanoic acid
CID 87075455
acetic acid;fluoroform
CID 87238268
(2S)-2-hydroxy-3-oxobutanoic acid
CID 45085131
N,N-dimethylmethanamine;2-hydroxypropanoic acid
CID 173198650
(E)-2-(2-chloroprop-1-enyl)-4-methyldec-4-en-8-ynoic acid
CID 88807516

Frequently Asked Questions

What is the IUPAC name of (E)-4-chloro-2-hydroxypent-3-enoic acid?
The IUPAC name of (E)-4-chloro-2-hydroxypent-3-enoic acid (CID 87704330) is (E)-4-chloro-2-hydroxypent-3-enoic acid.
What is the SMILES notation for (E)-4-chloro-2-hydroxypent-3-enoic acid?
The canonical SMILES for (E)-4-chloro-2-hydroxypent-3-enoic acid is C/C(Cl)=C\C(O)C(=O)O.
What is the InChIKey of (E)-4-chloro-2-hydroxypent-3-enoic acid?
The InChIKey is LKYKTTJZSMGJRK-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H7ClO3/c1-3(6)2-4(7)5(8)9/h2,4,7H,1H3,(H,8,9)/b3-2+.
What are the key properties of (E)-4-chloro-2-hydroxypent-3-enoic acid?
(E)-4-chloro-2-hydroxypent-3-enoic acid has a molecular weight of 150.56 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-chloro-2-hydroxypent-3-enoic acid is sourced from PubChem (CID 87704330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).