2-[[3-[4-[(cyclopropanecarbonylamino)methyl]phenyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid

C23H25N3O4 — CID 140519304

IUPAC2-[[3-[4-[(cyclopropanecarbonylamino)methyl]phenyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid
SMILESO=C(NCc1ccc(-c2cccc(NC(=O)C3CCCN3C(=O)O)c2)cc1)C1CC1
InChIInChI=1S/C23H25N3O4/c27-21(17-10-11-17)24-14-15-6-8-16(9-7-15)18-3-1-4-19(13-18)25-22(28)20-5-2-12-26(20)23(29)30/h1,3-4,6-9,13,17,20H,2,5,10-12,14H2,(H,24,27)(H,25,28)(H,29,30)
InChIKeyUVHPPUILHBBBNY-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.46
Rot. Bonds6

About 2-[[3-[4-[(cyclopropanecarbonylamino)methyl]phenyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid

2-[[3-[4-[(cyclopropanecarbonylamino)methyl]phenyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid (PubChem CID 140519304) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-[[3-[4-[(cyclopropanecarbonylamino)methyl]phenyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[[3-[4-[(cyclopropanecarbonylamino)methyl]phenyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid
PubChem CID140519304
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name2-[[3-[4-[(cyclopropanecarbonylamino)methyl]phenyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid
SMILESO=C(NCc1ccc(-c2cccc(NC(=O)C3CCCN3C(=O)O)c2)cc1)C1CC1
InChIInChI=1S/C23H25N3O4/c27-21(17-10-11-17)24-14-15-6-8-16(9-7-15)18-3-1-4-19(13-18)25-22(28)20-5-2-12-26(20)23(29)30/h1,3-4,6-9,13,17,20H,2,5,10-12,14H2,(H,24,27)(H,25,28)(H,29,30)
InChIKeyUVHPPUILHBBBNY-UHFFFAOYSA-N
XLogP3.46
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 69195937
2-[(3-fluorophenyl)carbamoyl]piperidine-1-carboxylic acid
CID 175733290
benzyl (2S)-2-[[3-(4-acetylphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 23581909
benzyl (2S)-2-[[3-(4-methylsulfonylphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 23582881
(2S)-1-N-(3-acetylphenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1443493
benzyl (2S)-2-[[3-(1,3-benzodioxol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 23582878
benzyl (2S)-2-[[3-(3-methoxyphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 23582416
1-N-benzyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219635
1-(furan-2-carbonyl)-N-[[4-(3-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 86974225
(2R)-1-N-(3-acetylphenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1443384
1-formyl-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide
CID 146357979
(2S)-2-[[4-[2-[4-(cyclobutanecarbonylamino)phenyl]ethynyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 129159208

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[4-[(cyclopropanecarbonylamino)methyl]phenyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-[[3-[4-[(cyclopropanecarbonylamino)methyl]phenyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid (CID 140519304) is 2-[[3-[4-[(cyclopropanecarbonylamino)methyl]phenyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-[[3-[4-[(cyclopropanecarbonylamino)methyl]phenyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-[[3-[4-[(cyclopropanecarbonylamino)methyl]phenyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid is O=C(NCc1ccc(-c2cccc(NC(=O)C3CCCN3C(=O)O)c2)cc1)C1CC1.
What is the InChIKey of 2-[[3-[4-[(cyclopropanecarbonylamino)methyl]phenyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid?
The InChIKey is UVHPPUILHBBBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c27-21(17-10-11-17)24-14-15-6-8-16(9-7-15)18-3-1-4-19(13-18)25-22(28)20-5-2-12-26(20)23(29)30/h1,3-4,6-9,13,17,20H,2,5,10-12,14H2,(H,24,27)(H,25,28)(H,29,30).
What are the key properties of 2-[[3-[4-[(cyclopropanecarbonylamino)methyl]phenyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid?
2-[[3-[4-[(cyclopropanecarbonylamino)methyl]phenyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid has a molecular weight of 407.47 g/mol, XLogP of 3.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[4-[(cyclopropanecarbonylamino)methyl]phenyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 140519304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).