(2R)-2-hydroxy-4-[(4-methoxy-3-phenylmethoxybenzoyl)amino]butanoic acid

C19H21NO6 — CID 13341006

IUPAC(2R)-2-hydroxy-4-[(4-methoxy-3-phenylmethoxybenzoyl)amino]butanoic acid
SMILESCOc1ccc(C(=O)NCC[C@@H](O)C(=O)O)cc1OCc1ccccc1
InChIInChI=1S/C19H21NO6/c1-25-16-8-7-14(18(22)20-10-9-15(21)19(23)24)11-17(16)26-12-13-5-3-2-4-6-13/h2-8,11,15,21H,9-10,12H2,1H3,(H,20,22)(H,23,24)/t15-/m1/s1
InChIKeyAITJQHKFAXJERV-OAHLLOKOSA-N
MW359.38 g/mol
LogP1.84
Rot. Bonds9

About (2R)-2-hydroxy-4-[(4-methoxy-3-phenylmethoxybenzoyl)amino]butanoic acid

(2R)-2-hydroxy-4-[(4-methoxy-3-phenylmethoxybenzoyl)amino]butanoic acid (PubChem CID 13341006) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is (2R)-2-hydroxy-4-[(4-methoxy-3-phenylmethoxybenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-4-[(4-methoxy-3-phenylmethoxybenzoyl)amino]butanoic acid
PubChem CID13341006
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name(2R)-2-hydroxy-4-[(4-methoxy-3-phenylmethoxybenzoyl)amino]butanoic acid
SMILESCOc1ccc(C(=O)NCC[C@@H](O)C(=O)O)cc1OCc1ccccc1
InChIInChI=1S/C19H21NO6/c1-25-16-8-7-14(18(22)20-10-9-15(21)19(23)24)11-17(16)26-12-13-5-3-2-4-6-13/h2-8,11,15,21H,9-10,12H2,1H3,(H,20,22)(H,23,24)/t15-/m1/s1
InChIKeyAITJQHKFAXJERV-OAHLLOKOSA-N
XLogP1.84
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-phenylmethoxybenzamide
CID 102275791
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454
3,4-dimethoxy-N-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]ethyl]benzamide
CID 4309421
3-methoxy-N-(3-phenoxypropyl)-4-phenylmethoxybenzamide
CID 55431173
N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 55975456
3-methoxy-N-[(E)-pent-3-enyl]-4-phenylmethoxybenzamide
CID 86952806
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
N-(3-aminobutyl)-3,4-dimethoxybenzamide
CID 63253883
(2S)-3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 107833549
3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 66166244
N-(cyclopropylmethyl)-3-methoxy-4-phenylmethoxybenzamide
CID 34822397
4-methoxy-3-phenylmethoxy-N-[4-(prop-2-ynylcarbamoyl)phenyl]benzamide
CID 122188015

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-4-[(4-methoxy-3-phenylmethoxybenzoyl)amino]butanoic acid?
The IUPAC name of (2R)-2-hydroxy-4-[(4-methoxy-3-phenylmethoxybenzoyl)amino]butanoic acid (CID 13341006) is (2R)-2-hydroxy-4-[(4-methoxy-3-phenylmethoxybenzoyl)amino]butanoic acid.
What is the SMILES notation for (2R)-2-hydroxy-4-[(4-methoxy-3-phenylmethoxybenzoyl)amino]butanoic acid?
The canonical SMILES for (2R)-2-hydroxy-4-[(4-methoxy-3-phenylmethoxybenzoyl)amino]butanoic acid is COc1ccc(C(=O)NCC[C@@H](O)C(=O)O)cc1OCc1ccccc1.
What is the InChIKey of (2R)-2-hydroxy-4-[(4-methoxy-3-phenylmethoxybenzoyl)amino]butanoic acid?
The InChIKey is AITJQHKFAXJERV-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21NO6/c1-25-16-8-7-14(18(22)20-10-9-15(21)19(23)24)11-17(16)26-12-13-5-3-2-4-6-13/h2-8,11,15,21H,9-10,12H2,1H3,(H,20,22)(H,23,24)/t15-/m1/s1.
What are the key properties of (2R)-2-hydroxy-4-[(4-methoxy-3-phenylmethoxybenzoyl)amino]butanoic acid?
(2R)-2-hydroxy-4-[(4-methoxy-3-phenylmethoxybenzoyl)amino]butanoic acid has a molecular weight of 359.38 g/mol, XLogP of 1.84, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-4-[(4-methoxy-3-phenylmethoxybenzoyl)amino]butanoic acid is sourced from PubChem (CID 13341006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).