(2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-(oxan-4-yl)pyrrolidine-2-carboxamide

C19H26N4O4 — CID 16737581

IUPAC(2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-(oxan-4-yl)pyrrolidine-2-carboxamide
SMILESNCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)NC1CCOCC1
InChIInChI=1S/C19H26N4O4/c20-11-17(24)23-12-15(22-18(25)13-4-2-1-3-5-13)10-16(23)19(26)21-14-6-8-27-9-7-14/h1-5,14-16H,6-12,20H2,(H,21,26)(H,22,25)/t15-,16+/m1/s1
InChIKeyIMODXBBIHBSCEP-CVEARBPZSA-N
MW374.44 g/mol
LogP-0.36
Rot. Bonds5

About (2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-(oxan-4-yl)pyrrolidine-2-carboxamide

(2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-(oxan-4-yl)pyrrolidine-2-carboxamide (PubChem CID 16737581) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is (2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-(oxan-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-(oxan-4-yl)pyrrolidine-2-carboxamide
PubChem CID16737581
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name(2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-(oxan-4-yl)pyrrolidine-2-carboxamide
SMILESNCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)NC1CCOCC1
InChIInChI=1S/C19H26N4O4/c20-11-17(24)23-12-15(22-18(25)13-4-2-1-3-5-13)10-16(23)19(26)21-14-6-8-27-9-7-14/h1-5,14-16H,6-12,20H2,(H,21,26)(H,22,25)/t15-,16+/m1/s1
InChIKeyIMODXBBIHBSCEP-CVEARBPZSA-N
XLogP-0.36
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-(oxan-4-yl)pyrrolidine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-(oxan-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-(oxan-4-yl)pyrrolidine-2-carboxamide (CID 16737581) is (2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-(oxan-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-(oxan-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-(oxan-4-yl)pyrrolidine-2-carboxamide is NCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)NC1CCOCC1.
What is the InChIKey of (2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-(oxan-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is IMODXBBIHBSCEP-CVEARBPZSA-N. The full InChI is InChI=1S/C19H26N4O4/c20-11-17(24)23-12-15(22-18(25)13-4-2-1-3-5-13)10-16(23)19(26)21-14-6-8-27-9-7-14/h1-5,14-16H,6-12,20H2,(H,21,26)(H,22,25)/t15-,16+/m1/s1.
What are the key properties of (2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-(oxan-4-yl)pyrrolidine-2-carboxamide?
(2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-(oxan-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 374.44 g/mol, XLogP of -0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-(oxan-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 16737581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).