(2S)-N-[5-(cyclopentanecarbonylamino)-2-methylphenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide

C22H29N3O3 — CID 131898261

IUPAC(2S)-N-[5-(cyclopentanecarbonylamino)-2-methylphenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)C2CCCC2)cc1NC(=O)[C@@H]1CCCN1C(=O)C1CC1
InChIInChI=1S/C22H29N3O3/c1-14-8-11-17(23-20(26)15-5-2-3-6-15)13-18(14)24-21(27)19-7-4-12-25(19)22(28)16-9-10-16/h8,11,13,15-16,19H,2-7,9-10,12H2,1H3,(H,23,26)(H,24,27)/t19-/m0/s1
InChIKeyOVXANGDSYJSPQL-IBGZPJMESA-N
MW383.49 g/mol
LogP3.46
Rot. Bonds5

About (2S)-N-[5-(cyclopentanecarbonylamino)-2-methylphenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide

(2S)-N-[5-(cyclopentanecarbonylamino)-2-methylphenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide (PubChem CID 131898261) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is (2S)-N-[5-(cyclopentanecarbonylamino)-2-methylphenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[5-(cyclopentanecarbonylamino)-2-methylphenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
PubChem CID131898261
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name(2S)-N-[5-(cyclopentanecarbonylamino)-2-methylphenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)C2CCCC2)cc1NC(=O)[C@@H]1CCCN1C(=O)C1CC1
InChIInChI=1S/C22H29N3O3/c1-14-8-11-17(23-20(26)15-5-2-3-6-15)13-18(14)24-21(27)19-7-4-12-25(19)22(28)16-9-10-16/h8,11,13,15-16,19H,2-7,9-10,12H2,1H3,(H,23,26)(H,24,27)/t19-/m0/s1
InChIKeyOVXANGDSYJSPQL-IBGZPJMESA-N
XLogP3.46
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexanecarbonyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 55741414
(2S)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55940765
1-(cyclohexanecarbonyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]pyrrolidine-2-carboxamide
CID 55947181
N-(5-acetamido-2-methylphenyl)cyclopentanecarboxamide
CID 46455101
(3R)-N-(3-acetamido-4-methylphenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 94197165
(2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110286201
N-(4-anilinophenyl)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxamide
CID 166197699
N-(3-bromophenyl)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
CID 55741021
N-(3,4-dimethylphenyl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide
CID 3619605
(2R)-2-N-(3,4-dimethylphenyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 51684738
N-[3-(cyclopentanecarbonylamino)-4-methylphenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 74242754
N-[3-(cyclopentanecarbonylamino)-4-methylphenyl]-4,4-difluoropiperidine-1-carboxamide
CID 118785738

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-(cyclopentanecarbonylamino)-2-methylphenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[5-(cyclopentanecarbonylamino)-2-methylphenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide (CID 131898261) is (2S)-N-[5-(cyclopentanecarbonylamino)-2-methylphenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[5-(cyclopentanecarbonylamino)-2-methylphenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[5-(cyclopentanecarbonylamino)-2-methylphenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide is Cc1ccc(NC(=O)C2CCCC2)cc1NC(=O)[C@@H]1CCCN1C(=O)C1CC1.
What is the InChIKey of (2S)-N-[5-(cyclopentanecarbonylamino)-2-methylphenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide?
The InChIKey is OVXANGDSYJSPQL-IBGZPJMESA-N. The full InChI is InChI=1S/C22H29N3O3/c1-14-8-11-17(23-20(26)15-5-2-3-6-15)13-18(14)24-21(27)19-7-4-12-25(19)22(28)16-9-10-16/h8,11,13,15-16,19H,2-7,9-10,12H2,1H3,(H,23,26)(H,24,27)/t19-/m0/s1.
What are the key properties of (2S)-N-[5-(cyclopentanecarbonylamino)-2-methylphenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide?
(2S)-N-[5-(cyclopentanecarbonylamino)-2-methylphenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-(cyclopentanecarbonylamino)-2-methylphenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 131898261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).