(2R)-2-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid

C11H12ClNO5 — CID 80750925

IUPAC(2R)-2-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
SMILESO=C(COc1cccc(Cl)c1)N[C@H](CO)C(=O)O
InChIInChI=1S/C11H12ClNO5/c12-7-2-1-3-8(4-7)18-6-10(15)13-9(5-14)11(16)17/h1-4,9,14H,5-6H2,(H,13,15)(H,16,17)/t9-/m1/s1
InChIKeyOVICMRFOKZWJQK-SECBINFHSA-N
MW273.67 g/mol
LogP0.28
Rot. Bonds6

About (2R)-2-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid

(2R)-2-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid (PubChem CID 80750925) has the molecular formula C11H12ClNO5 and a molecular weight of 273.67 g/mol. Its IUPAC name is (2R)-2-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
PubChem CID80750925
Molecular FormulaC11H12ClNO5
Molecular Weight273.67 g/mol
Exact Mass273.04
IUPAC Name(2R)-2-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
SMILESO=C(COc1cccc(Cl)c1)N[C@H](CO)C(=O)O
InChIInChI=1S/C11H12ClNO5/c12-7-2-1-3-8(4-7)18-6-10(15)13-9(5-14)11(16)17/h1-4,9,14H,5-6H2,(H,13,15)(H,16,17)/t9-/m1/s1
InChIKeyOVICMRFOKZWJQK-SECBINFHSA-N
XLogP0.28
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.67
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[2-(3-chlorophenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 107822042
2-[[2-(3-chlorophenoxy)acetyl]amino]propanoic acid
CID 43239395
(2R)-2-[[2-(3-chlorophenoxy)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 104906016
(2S,3R)-2-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 104964349
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 595733
N-[(2R)-1-aminopropan-2-yl]-2-(3-chlorophenoxy)acetamide
CID 104872802
N-(1-chloro-3-methylbutan-2-yl)-2-(3-chlorophenoxy)acetamide
CID 113273495
2-(3-chlorophenoxy)-N-(3-oxopentan-2-yl)acetamide
CID 64996994
2-(3-chlorophenoxy)-N-(2-phenylphenyl)acetamide
CID 7818854
N-(1-amino-1-hydroxyiminobutan-2-yl)-2-(3-chlorophenoxy)acetamide
CID 76937630
(2S)-2-[(3-chlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 23793307
2-[[2-(3,5-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 110488121

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid (CID 80750925) is (2R)-2-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid is O=C(COc1cccc(Cl)c1)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid?
The InChIKey is OVICMRFOKZWJQK-SECBINFHSA-N. The full InChI is InChI=1S/C11H12ClNO5/c12-7-2-1-3-8(4-7)18-6-10(15)13-9(5-14)11(16)17/h1-4,9,14H,5-6H2,(H,13,15)(H,16,17)/t9-/m1/s1.
What are the key properties of (2R)-2-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid?
(2R)-2-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid has a molecular weight of 273.67 g/mol, XLogP of 0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 80750925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).