(3R)-3-phenyl-3-[(4-propan-2-yloxybenzoyl)amino]propanoic acid

C19H21NO4 — CID 40514082

IUPAC(3R)-3-phenyl-3-[(4-propan-2-yloxybenzoyl)amino]propanoic acid
SMILESCC(C)Oc1ccc(C(=O)N[C@H](CC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C19H21NO4/c1-13(2)24-16-10-8-15(9-11-16)19(23)20-17(12-18(21)22)14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3,(H,20,23)(H,21,22)/t17-/m1/s1
InChIKeyNFKOKZMQZVOUBY-QGZVFWFLSA-N
MW327.38 g/mol
LogP3.42
Rot. Bonds7

About (3R)-3-phenyl-3-[(4-propan-2-yloxybenzoyl)amino]propanoic acid

(3R)-3-phenyl-3-[(4-propan-2-yloxybenzoyl)amino]propanoic acid (PubChem CID 40514082) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is (3R)-3-phenyl-3-[(4-propan-2-yloxybenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name(3R)-3-phenyl-3-[(4-propan-2-yloxybenzoyl)amino]propanoic acid
PubChem CID40514082
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name(3R)-3-phenyl-3-[(4-propan-2-yloxybenzoyl)amino]propanoic acid
SMILESCC(C)Oc1ccc(C(=O)N[C@H](CC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C19H21NO4/c1-13(2)24-16-10-8-15(9-11-16)19(23)20-17(12-18(21)22)14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3,(H,20,23)(H,21,22)/t17-/m1/s1
InChIKeyNFKOKZMQZVOUBY-QGZVFWFLSA-N
XLogP3.42
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-phenylpropyl]-4-propan-2-yloxybenzamide
CID 28632520
3-[(4-chlorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 3927464
3-[(4-fluorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 3934367
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
N-[3-oxo-1-phenyl-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]acetamide
CID 4791195
3-(3-phenylbutanoylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 4042816
cyanomethyl (3R)-3-benzamido-3-(4-propan-2-yloxyphenyl)propanoate
CID 7310458
3-[(4-chlorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoate
CID 5058619
(3R)-3-(4-propan-2-yloxyphenyl)-3-(thiophene-2-carbonylamino)propanoic acid
CID 1263207
3-phenyl-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 2939109
(3S)-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 1267772

Frequently Asked Questions

What is the IUPAC name of (3R)-3-phenyl-3-[(4-propan-2-yloxybenzoyl)amino]propanoic acid?
The IUPAC name of (3R)-3-phenyl-3-[(4-propan-2-yloxybenzoyl)amino]propanoic acid (CID 40514082) is (3R)-3-phenyl-3-[(4-propan-2-yloxybenzoyl)amino]propanoic acid.
What is the SMILES notation for (3R)-3-phenyl-3-[(4-propan-2-yloxybenzoyl)amino]propanoic acid?
The canonical SMILES for (3R)-3-phenyl-3-[(4-propan-2-yloxybenzoyl)amino]propanoic acid is CC(C)Oc1ccc(C(=O)N[C@H](CC(=O)O)c2ccccc2)cc1.
What is the InChIKey of (3R)-3-phenyl-3-[(4-propan-2-yloxybenzoyl)amino]propanoic acid?
The InChIKey is NFKOKZMQZVOUBY-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13(2)24-16-10-8-15(9-11-16)19(23)20-17(12-18(21)22)14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3,(H,20,23)(H,21,22)/t17-/m1/s1.
What are the key properties of (3R)-3-phenyl-3-[(4-propan-2-yloxybenzoyl)amino]propanoic acid?
(3R)-3-phenyl-3-[(4-propan-2-yloxybenzoyl)amino]propanoic acid has a molecular weight of 327.38 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-phenyl-3-[(4-propan-2-yloxybenzoyl)amino]propanoic acid is sourced from PubChem (CID 40514082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).