(3-chlorophenyl)methyl 2-amino-3-hydroxybutanoate

C11H14ClNO3 — CID 65127127

IUPAC(3-chlorophenyl)methyl 2-amino-3-hydroxybutanoate
SMILESCC(O)C(N)C(=O)OCc1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO3/c1-7(14)10(13)11(15)16-6-8-3-2-4-9(12)5-8/h2-5,7,10,14H,6,13H2,1H3
InChIKeyNZZUUVHCIHHETF-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.09
Rot. Bonds4

About (3-chlorophenyl)methyl 2-amino-3-hydroxybutanoate

(3-chlorophenyl)methyl 2-amino-3-hydroxybutanoate (PubChem CID 65127127) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is (3-chlorophenyl)methyl 2-amino-3-hydroxybutanoate.

Molecular Properties

Compound Name(3-chlorophenyl)methyl 2-amino-3-hydroxybutanoate
PubChem CID65127127
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name(3-chlorophenyl)methyl 2-amino-3-hydroxybutanoate
SMILESCC(O)C(N)C(=O)OCc1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO3/c1-7(14)10(13)11(15)16-6-8-3-2-4-9(12)5-8/h2-5,7,10,14H,6,13H2,1H3
InChIKeyNZZUUVHCIHHETF-UHFFFAOYSA-N
XLogP1.09
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2S,3S)-2-amino-3-hydroxybutanoate;hydrochloride
CID 119032008
bis[(3-chlorophenyl)methyl] carbonate
CID 44719399
(3-chlorophenyl)methyl 2-amino-4-methoxybutanoate
CID 65126822
(3-chlorophenyl)methyl (2R)-2-amino-4-methylsulfanylbutanoate
CID 104909732
(3-chlorophenyl)methyl 2-amino-2-methylpropanoate
CID 65126970
(3-chlorophenyl)methyl 2-methoxyacetate
CID 142607419
3-amino-1-(3-chlorophenyl)-4-methylpentan-2-one
CID 116548985
(3-chlorophenyl)methyl (2R)-2-(4-cyanophenoxy)propanoate
CID 7984026
(3-methoxyphenyl)methyl (2S)-2-amino-3-methylbutanoate
CID 61277798
(3-chlorophenyl)methyl 2-carbonochloridoyl-2-ethylbutanoate
CID 91712545
1-O-[(3-chlorophenyl)methyl] 3-O-(2-methylpropyl) 2,2-diethylpropanedioate
CID 91712484
3-amino-1-(3-chlorophenyl)butan-2-ol
CID 82397554

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methyl 2-amino-3-hydroxybutanoate?
The IUPAC name of (3-chlorophenyl)methyl 2-amino-3-hydroxybutanoate (CID 65127127) is (3-chlorophenyl)methyl 2-amino-3-hydroxybutanoate.
What is the SMILES notation for (3-chlorophenyl)methyl 2-amino-3-hydroxybutanoate?
The canonical SMILES for (3-chlorophenyl)methyl 2-amino-3-hydroxybutanoate is CC(O)C(N)C(=O)OCc1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)methyl 2-amino-3-hydroxybutanoate?
The InChIKey is NZZUUVHCIHHETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-7(14)10(13)11(15)16-6-8-3-2-4-9(12)5-8/h2-5,7,10,14H,6,13H2,1H3.
What are the key properties of (3-chlorophenyl)methyl 2-amino-3-hydroxybutanoate?
(3-chlorophenyl)methyl 2-amino-3-hydroxybutanoate has a molecular weight of 243.69 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methyl 2-amino-3-hydroxybutanoate is sourced from PubChem (CID 65127127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).