(2S,4R)-1-[2-(9H-carbazole-3-carbonylamino)acetyl]-4-(difluoromethoxy)pyrrolidine-2-carboxylic acid

C21H19F2N3O5 — CID 170298537

IUPAC(2S,4R)-1-[2-(9H-carbazole-3-carbonylamino)acetyl]-4-(difluoromethoxy)pyrrolidine-2-carboxylic acid
SMILESO=C(NCC(=O)N1C[C@H](OC(F)F)C[C@H]1C(=O)O)c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C21H19F2N3O5/c22-21(23)31-12-8-17(20(29)30)26(10-12)18(27)9-24-19(28)11-5-6-16-14(7-11)13-3-1-2-4-15(13)25-16/h1-7,12,17,21,25H,8-10H2,(H,24,28)(H,29,30)/t12-,17+/m1/s1
InChIKeyUTYLLKALWKVSDL-PXAZEXFGSA-N
MW431.40 g/mol
LogP2.34
Rot. Bonds6

About (2S,4R)-1-[2-(9H-carbazole-3-carbonylamino)acetyl]-4-(difluoromethoxy)pyrrolidine-2-carboxylic acid

(2S,4R)-1-[2-(9H-carbazole-3-carbonylamino)acetyl]-4-(difluoromethoxy)pyrrolidine-2-carboxylic acid (PubChem CID 170298537) has the molecular formula C21H19F2N3O5 and a molecular weight of 431.40 g/mol. Its IUPAC name is (2S,4R)-1-[2-(9H-carbazole-3-carbonylamino)acetyl]-4-(difluoromethoxy)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-[2-(9H-carbazole-3-carbonylamino)acetyl]-4-(difluoromethoxy)pyrrolidine-2-carboxylic acid
PubChem CID170298537
Molecular FormulaC21H19F2N3O5
Molecular Weight431.40 g/mol
Exact Mass431.13
IUPAC Name(2S,4R)-1-[2-(9H-carbazole-3-carbonylamino)acetyl]-4-(difluoromethoxy)pyrrolidine-2-carboxylic acid
SMILESO=C(NCC(=O)N1C[C@H](OC(F)F)C[C@H]1C(=O)O)c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C21H19F2N3O5/c22-21(23)31-12-8-17(20(29)30)26(10-12)18(27)9-24-19(28)11-5-6-16-14(7-11)13-3-1-2-4-15(13)25-16/h1-7,12,17,21,25H,8-10H2,(H,24,28)(H,29,30)/t12-,17+/m1/s1
InChIKeyUTYLLKALWKVSDL-PXAZEXFGSA-N
XLogP2.34
TPSA111.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.40
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S,4R)-1-[2-(9H-carbazole-3-carbonylamino)acetyl]-4-(difluoromethoxy)pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S,4R)-4-(difluoromethoxy)-1-[2-[[3-(4-fluorophenyl)benzoyl]amino]acetyl]pyrrolidine-2-carboxylate
CID 170298593
(4R)-4-(difluoromethoxy)-1-[2-[(9,9-dimethylfluorene-3-carbonyl)amino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 170295032
4-phenoxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 175438650
(2S,4R)-1-[2-(dibenzofuran-2-carbonylamino)acetyl]-4-(difluoromethoxy)-N-[(1R)-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 174197308
(2S,4R)-1-[2-[(9,9-difluorofluorene-3-carbonyl)amino]acetyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 170299427
(2S)-4-hydroxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 175438606
(2S,4R)-4-(difluoromethoxy)-N-(1H-indazol-6-ylmethyl)-1-[2-(phenoxathiine-3-carbonylamino)acetyl]pyrrolidine-2-carboxamide
CID 174197284
(2S,4R)-4-(difluoromethoxy)-1-[2-[(8-methyldibenzofuran-2-carbonyl)amino]acetyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 170963183
(2S,4R)-N-[(4-amino-2-oxo-1,3-benzoxazin-7-yl)methyl]-4-(difluoromethoxy)-1-[2-(phenoxathiine-3-carbonylamino)acetyl]pyrrolidine-2-carboxamide
CID 170963389
(2S,4S)-N-[(4-carbamimidoylthiophen-2-yl)methyl]-4-(difluoromethoxy)-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxamide
CID 163226634
(2S,4R)-N-[(R)-(4-carbamimidoylthiophen-2-yl)-phenylmethyl]-4-(difluoromethoxy)-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxamide
CID 163224831
(2S,4R)-4-(difluoromethoxy)-1-[2-[[3-(4-methylphenoxy)benzoyl]amino]acetyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 174197360

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[2-(9H-carbazole-3-carbonylamino)acetyl]-4-(difluoromethoxy)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-[2-(9H-carbazole-3-carbonylamino)acetyl]-4-(difluoromethoxy)pyrrolidine-2-carboxylic acid (CID 170298537) is (2S,4R)-1-[2-(9H-carbazole-3-carbonylamino)acetyl]-4-(difluoromethoxy)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-[2-(9H-carbazole-3-carbonylamino)acetyl]-4-(difluoromethoxy)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-[2-(9H-carbazole-3-carbonylamino)acetyl]-4-(difluoromethoxy)pyrrolidine-2-carboxylic acid is O=C(NCC(=O)N1C[C@H](OC(F)F)C[C@H]1C(=O)O)c1ccc2[nH]c3ccccc3c2c1.
What is the InChIKey of (2S,4R)-1-[2-(9H-carbazole-3-carbonylamino)acetyl]-4-(difluoromethoxy)pyrrolidine-2-carboxylic acid?
The InChIKey is UTYLLKALWKVSDL-PXAZEXFGSA-N. The full InChI is InChI=1S/C21H19F2N3O5/c22-21(23)31-12-8-17(20(29)30)26(10-12)18(27)9-24-19(28)11-5-6-16-14(7-11)13-3-1-2-4-15(13)25-16/h1-7,12,17,21,25H,8-10H2,(H,24,28)(H,29,30)/t12-,17+/m1/s1.
What are the key properties of (2S,4R)-1-[2-(9H-carbazole-3-carbonylamino)acetyl]-4-(difluoromethoxy)pyrrolidine-2-carboxylic acid?
(2S,4R)-1-[2-(9H-carbazole-3-carbonylamino)acetyl]-4-(difluoromethoxy)pyrrolidine-2-carboxylic acid has a molecular weight of 431.40 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[2-(9H-carbazole-3-carbonylamino)acetyl]-4-(difluoromethoxy)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 170298537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).