(2R)-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-2-phenylacetic acid

C19H21NO5 — CID 119367895

IUPAC(2R)-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-2-phenylacetic acid
SMILESCOc1cc(C(=O)N[C@@H](C(=O)O)c2ccccc2)ccc1OC(C)C
InChIInChI=1S/C19H21NO5/c1-12(2)25-15-10-9-14(11-16(15)24-3)18(21)20-17(19(22)23)13-7-5-4-6-8-13/h4-12,17H,1-3H3,(H,20,21)(H,22,23)/t17-/m1/s1
InChIKeyGSRJARVMDZKZMX-QGZVFWFLSA-N
MW343.38 g/mol
LogP3.04
Rot. Bonds7

About (2R)-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-2-phenylacetic acid

(2R)-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-2-phenylacetic acid (PubChem CID 119367895) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is (2R)-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-2-phenylacetic acid
PubChem CID119367895
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name(2R)-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-2-phenylacetic acid
SMILESCOc1cc(C(=O)N[C@@H](C(=O)O)c2ccccc2)ccc1OC(C)C
InChIInChI=1S/C19H21NO5/c1-12(2)25-15-10-9-14(11-16(15)24-3)18(21)20-17(19(22)23)13-7-5-4-6-8-13/h4-12,17H,1-3H3,(H,20,21)(H,22,23)/t17-/m1/s1
InChIKeyGSRJARVMDZKZMX-QGZVFWFLSA-N
XLogP3.04
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2,2-diphenylacetyl)-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 7972036
propan-2-yl 3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-phenylpropanoate
CID 46483434
3-methoxy-N-(2-phenylbutyl)-4-propan-2-yloxybenzamide
CID 45351975
3-methoxy-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]-4-propan-2-yloxybenzamide
CID 52522411
N-(4-hydroxybutan-2-yl)-3-methoxy-4-propan-2-yloxybenzamide
CID 71847725
N-(2-amino-2-oxo-1-phenylethyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55776273
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-methoxy-4-propan-2-yloxybenzamide
CID 46465379
N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46656614
(2S)-2-[(3-ethoxy-4-propoxybenzoyl)amino]-2-phenylacetic acid
CID 119372647
2-benzyl-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]propanoic acid
CID 119233654
(2S)-2-[(6-methoxypyridine-3-carbonyl)amino]-2-phenylacetic acid
CID 93310081
methyl 3-methoxy-4-[(1S)-1-phenylethoxy]benzoate
CID 121407788

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-2-phenylacetic acid (CID 119367895) is (2R)-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-2-phenylacetic acid is COc1cc(C(=O)N[C@@H](C(=O)O)c2ccccc2)ccc1OC(C)C.
What is the InChIKey of (2R)-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-2-phenylacetic acid?
The InChIKey is GSRJARVMDZKZMX-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21NO5/c1-12(2)25-15-10-9-14(11-16(15)24-3)18(21)20-17(19(22)23)13-7-5-4-6-8-13/h4-12,17H,1-3H3,(H,20,21)(H,22,23)/t17-/m1/s1.
What are the key properties of (2R)-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-2-phenylacetic acid?
(2R)-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-2-phenylacetic acid has a molecular weight of 343.38 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 119367895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).