(2R)-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]propanoic acid

C14H19NO4 — CID 119244137

IUPAC(2R)-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
SMILESCC(C)Oc1cccc(CC(=O)N[C@H](C)C(=O)O)c1
InChIInChI=1S/C14H19NO4/c1-9(2)19-12-6-4-5-11(7-12)8-13(16)15-10(3)14(17)18/h4-7,9-10H,8H2,1-3H3,(H,15,16)(H,17,18)/t10-/m1/s1
InChIKeyKNRQIRIPTCYFOQ-SNVBAGLBSA-N
MW265.31 g/mol
LogP1.61
Rot. Bonds6

About (2R)-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]propanoic acid

(2R)-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]propanoic acid (PubChem CID 119244137) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2R)-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
PubChem CID119244137
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(2R)-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
SMILESCC(C)Oc1cccc(CC(=O)N[C@H](C)C(=O)O)c1
InChIInChI=1S/C14H19NO4/c1-9(2)19-12-6-4-5-11(7-12)8-13(16)15-10(3)14(17)18/h4-7,9-10H,8H2,1-3H3,(H,15,16)(H,17,18)/t10-/m1/s1
InChIKeyKNRQIRIPTCYFOQ-SNVBAGLBSA-N
XLogP1.61
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-phenoxyphenyl)acetyl]amino]propanoic acid
CID 162228691
(2R)-4-methyl-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid
CID 119363288
2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 62390110
2-(3-propan-2-yloxyphenyl)acetyl chloride
CID 18333440
2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
CID 119225488
5-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid
CID 119234678
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-propan-2-yloxyphenyl)acetamide
CID 111696739
2-phenyl-N-(3-propan-2-yloxyphenyl)acetamide
CID 6458056
N-(2-amino-2-methylpropyl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119626689
2-[[2-[3-(methanesulfonamido)phenyl]acetyl]amino]propanoic acid
CID 119348801
4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229628
N-(3-aminopropyl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119405627

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]propanoic acid (CID 119244137) is (2R)-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]propanoic acid is CC(C)Oc1cccc(CC(=O)N[C@H](C)C(=O)O)c1.
What is the InChIKey of (2R)-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]propanoic acid?
The InChIKey is KNRQIRIPTCYFOQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9(2)19-12-6-4-5-11(7-12)8-13(16)15-10(3)14(17)18/h4-7,9-10H,8H2,1-3H3,(H,15,16)(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]propanoic acid?
(2R)-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 119244137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).