(4S)-4-benzamido-1-methoxycarbonylpyrrolidine-2-carboxylic acid

C14H16N2O5 — CID 102449185

IUPAC(4S)-4-benzamido-1-methoxycarbonylpyrrolidine-2-carboxylic acid
SMILESCOC(=O)N1C[C@@H](NC(=O)c2ccccc2)CC1C(=O)O
InChIInChI=1S/C14H16N2O5/c1-21-14(20)16-8-10(7-11(16)13(18)19)15-12(17)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3,(H,15,17)(H,18,19)/t10-,11?/m0/s1
InChIKeyJEDPDFDUENWBKS-VUWPPUDQSA-N
MW292.29 g/mol
LogP0.71
Rot. Bonds3

About (4S)-4-benzamido-1-methoxycarbonylpyrrolidine-2-carboxylic acid

(4S)-4-benzamido-1-methoxycarbonylpyrrolidine-2-carboxylic acid (PubChem CID 102449185) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is (4S)-4-benzamido-1-methoxycarbonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(4S)-4-benzamido-1-methoxycarbonylpyrrolidine-2-carboxylic acid
PubChem CID102449185
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name(4S)-4-benzamido-1-methoxycarbonylpyrrolidine-2-carboxylic acid
SMILESCOC(=O)N1C[C@@H](NC(=O)c2ccccc2)CC1C(=O)O
InChIInChI=1S/C14H16N2O5/c1-21-14(20)16-8-10(7-11(16)13(18)19)15-12(17)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3,(H,15,17)(H,18,19)/t10-,11?/m0/s1
InChIKeyJEDPDFDUENWBKS-VUWPPUDQSA-N
XLogP0.71
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-O-tert-butyl 2-O-methyl (2S,4S)-4-benzamidopyrrolidine-1,2-dicarboxylate;ethane
CID 143708542
(2S,4R)-4-benzamido-1-[3-[[3-[(2S,4R)-4-benzamido-2-carboxypyrrolidin-1-yl]-2-methyl-3-oxopropyl]disulfanyl]-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
CID 18596069
(2S,4R)-1-(2-aminoacetyl)-4-benzamidopyrrolidine-2-carboxamide
CID 16735101
methyl 4-benzamido-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carboxylate;hydrochloride
CID 68515378
4-benzamido-1-[2-(1H-imidazol-2-ylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 69262252
4-benzamido-1-[2-(4,5-dihydro-1H-imidazol-2-ylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 69260699
(2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-propan-2-ylpyrrolidine-2-carboxamide
CID 16737759
(4R)-4-anilino-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 70952551
methyl (2S,4R)-1-benzyl-4-[[4-(trifluoromethyl)benzoyl]amino]pyrrolidine-2-carboxylate
CID 118756224
[4-benzamido-1-[2-(methylamino)acetyl]pyrrolidin-2-yl] hydrogen carbonate
CID 121482127
(2S,4R)-1-(2-aminoacetyl)-4-[(2-methylbenzoyl)amino]pyrrolidine-2-carboxylic acid
CID 67394288
(2S,4R)-4-[(5-chlorothiophene-2-carbonyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 143317084

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzamido-1-methoxycarbonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (4S)-4-benzamido-1-methoxycarbonylpyrrolidine-2-carboxylic acid (CID 102449185) is (4S)-4-benzamido-1-methoxycarbonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (4S)-4-benzamido-1-methoxycarbonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (4S)-4-benzamido-1-methoxycarbonylpyrrolidine-2-carboxylic acid is COC(=O)N1C[C@@H](NC(=O)c2ccccc2)CC1C(=O)O.
What is the InChIKey of (4S)-4-benzamido-1-methoxycarbonylpyrrolidine-2-carboxylic acid?
The InChIKey is JEDPDFDUENWBKS-VUWPPUDQSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-21-14(20)16-8-10(7-11(16)13(18)19)15-12(17)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3,(H,15,17)(H,18,19)/t10-,11?/m0/s1.
What are the key properties of (4S)-4-benzamido-1-methoxycarbonylpyrrolidine-2-carboxylic acid?
(4S)-4-benzamido-1-methoxycarbonylpyrrolidine-2-carboxylic acid has a molecular weight of 292.29 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzamido-1-methoxycarbonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102449185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).