2-(carbamoylamino)-2-(3-methoxy-4-phenylphenyl)acetic acid

C16H16N2O4 — CID 54064413

IUPAC2-(carbamoylamino)-2-(3-methoxy-4-phenylphenyl)acetic acid
SMILESCOc1cc(C(NC(N)=O)C(=O)O)ccc1-c1ccccc1
InChIInChI=1S/C16H16N2O4/c1-22-13-9-11(14(15(19)20)18-16(17)21)7-8-12(13)10-5-3-2-4-6-10/h2-9,14H,1H3,(H,19,20)(H3,17,18,21)
InChIKeyMBYFMLJPMLLANO-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.16
Rot. Bonds5

About 2-(carbamoylamino)-2-(3-methoxy-4-phenylphenyl)acetic acid

2-(carbamoylamino)-2-(3-methoxy-4-phenylphenyl)acetic acid (PubChem CID 54064413) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-(carbamoylamino)-2-(3-methoxy-4-phenylphenyl)acetic acid.

Molecular Properties

Compound Name2-(carbamoylamino)-2-(3-methoxy-4-phenylphenyl)acetic acid
PubChem CID54064413
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name2-(carbamoylamino)-2-(3-methoxy-4-phenylphenyl)acetic acid
SMILESCOc1cc(C(NC(N)=O)C(=O)O)ccc1-c1ccccc1
InChIInChI=1S/C16H16N2O4/c1-22-13-9-11(14(15(19)20)18-16(17)21)7-8-12(13)10-5-3-2-4-6-10/h2-9,14H,1H3,(H,19,20)(H3,17,18,21)
InChIKeyMBYFMLJPMLLANO-UHFFFAOYSA-N
XLogP2.16
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[carboxy-(3,4-dimethoxyphenyl)methyl]amino]propanoic acid
CID 82344855
methyl 2-(3,4-diphenylphenyl)propanoate
CID 139706154
2-(3,4-dimethoxyphenyl)-2-(propan-2-ylamino)acetic acid
CID 43754348
2-anilino-2-(3,4-dimethoxyphenyl)acetamide
CID 61005050
2-acetamido-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetic acid
CID 63702399
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(3-fluoro-4-methoxyphenyl)acetic acid
CID 103690241
(3S)-3-amino-3-(4-methoxy-3-phenylphenyl)propanoic acid
CID 135366641
2-(3-chloro-4-methoxyphenyl)-2-(phenylmethoxycarbonylamino)acetic acid
CID 103690041
4,5-dimethoxy-2-phenylbenzamide
CID 141317116
S-methyl 3-methoxy-4-phenylbenzenecarbothioate
CID 19934709
(5-methoxy-2-phenylphenyl) carbamate
CID 121375018
2-(3,4-dimethoxyphenyl)-1-(4,5-dimethoxy-2-phenylphenyl)-2-phenylethanone
CID 101342771

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-2-(3-methoxy-4-phenylphenyl)acetic acid?
The IUPAC name of 2-(carbamoylamino)-2-(3-methoxy-4-phenylphenyl)acetic acid (CID 54064413) is 2-(carbamoylamino)-2-(3-methoxy-4-phenylphenyl)acetic acid.
What is the SMILES notation for 2-(carbamoylamino)-2-(3-methoxy-4-phenylphenyl)acetic acid?
The canonical SMILES for 2-(carbamoylamino)-2-(3-methoxy-4-phenylphenyl)acetic acid is COc1cc(C(NC(N)=O)C(=O)O)ccc1-c1ccccc1.
What is the InChIKey of 2-(carbamoylamino)-2-(3-methoxy-4-phenylphenyl)acetic acid?
The InChIKey is MBYFMLJPMLLANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-22-13-9-11(14(15(19)20)18-16(17)21)7-8-12(13)10-5-3-2-4-6-10/h2-9,14H,1H3,(H,19,20)(H3,17,18,21).
What are the key properties of 2-(carbamoylamino)-2-(3-methoxy-4-phenylphenyl)acetic acid?
2-(carbamoylamino)-2-(3-methoxy-4-phenylphenyl)acetic acid has a molecular weight of 300.31 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-2-(3-methoxy-4-phenylphenyl)acetic acid is sourced from PubChem (CID 54064413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).