(2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-propan-2-ylpyrrolidine-2-carboxamide

C17H24N4O3 — CID 16737759

IUPAC(2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)[C@@H]1C[C@@H](NC(=O)c2ccccc2)CN1C(=O)CN
InChIInChI=1S/C17H24N4O3/c1-11(2)19-17(24)14-8-13(10-21(14)15(22)9-18)20-16(23)12-6-4-3-5-7-12/h3-7,11,13-14H,8-10,18H2,1-2H3,(H,19,24)(H,20,23)/t13-,14+/m1/s1
InChIKeyGNBLZICAKJXKIV-KGLIPLIRSA-N
MW332.40 g/mol
LogP-0.13
Rot. Bonds5

About (2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-propan-2-ylpyrrolidine-2-carboxamide

(2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 16737759) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is (2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID16737759
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name(2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)[C@@H]1C[C@@H](NC(=O)c2ccccc2)CN1C(=O)CN
InChIInChI=1S/C17H24N4O3/c1-11(2)19-17(24)14-8-13(10-21(14)15(22)9-18)20-16(23)12-6-4-3-5-7-12/h3-7,11,13-14H,8-10,18H2,1-2H3,(H,19,24)(H,20,23)/t13-,14+/m1/s1
InChIKeyGNBLZICAKJXKIV-KGLIPLIRSA-N
XLogP-0.13
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-propan-2-ylpyrrolidine-2-carboxamide (CID 16737759) is (2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-propan-2-ylpyrrolidine-2-carboxamide is CC(C)NC(=O)[C@@H]1C[C@@H](NC(=O)c2ccccc2)CN1C(=O)CN.
What is the InChIKey of (2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is GNBLZICAKJXKIV-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-11(2)19-17(24)14-8-13(10-21(14)15(22)9-18)20-16(23)12-6-4-3-5-7-12/h3-7,11,13-14H,8-10,18H2,1-2H3,(H,19,24)(H,20,23)/t13-,14+/m1/s1.
What are the key properties of (2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-propan-2-ylpyrrolidine-2-carboxamide?
(2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 332.40 g/mol, XLogP of -0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 16737759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).