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

C17H22N4O3 — CID 16737760

IUPAC(2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-cyclopropylpyrrolidine-2-carboxamide
SMILESNCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)NC1CC1
InChIInChI=1S/C17H22N4O3/c18-9-15(22)21-10-13(8-14(21)17(24)19-12-6-7-12)20-16(23)11-4-2-1-3-5-11/h1-5,12-14H,6-10,18H2,(H,19,24)(H,20,23)/t13-,14+/m1/s1
InChIKeyJMVYFJJUAPIDKG-KGLIPLIRSA-N
MW330.39 g/mol
LogP-0.38
Rot. Bonds5

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

(2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-cyclopropylpyrrolidine-2-carboxamide (PubChem CID 16737760) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is (2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-cyclopropylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-cyclopropylpyrrolidine-2-carboxamide
PubChem CID16737760
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name(2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-cyclopropylpyrrolidine-2-carboxamide
SMILESNCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)NC1CC1
InChIInChI=1S/C17H22N4O3/c18-9-15(22)21-10-13(8-14(21)17(24)19-12-6-7-12)20-16(23)11-4-2-1-3-5-11/h1-5,12-14H,6-10,18H2,(H,19,24)(H,20,23)/t13-,14+/m1/s1
InChIKeyJMVYFJJUAPIDKG-KGLIPLIRSA-N
XLogP-0.38
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 5-0.38
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-cyclopropylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-cyclopropylpyrrolidine-2-carboxamide (CID 16737760) is (2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-cyclopropylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-cyclopropylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-cyclopropylpyrrolidine-2-carboxamide is NCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)NC1CC1.
What is the InChIKey of (2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-cyclopropylpyrrolidine-2-carboxamide?
The InChIKey is JMVYFJJUAPIDKG-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H22N4O3/c18-9-15(22)21-10-13(8-14(21)17(24)19-12-6-7-12)20-16(23)11-4-2-1-3-5-11/h1-5,12-14H,6-10,18H2,(H,19,24)(H,20,23)/t13-,14+/m1/s1.
What are the key properties of (2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-cyclopropylpyrrolidine-2-carboxamide?
(2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-cyclopropylpyrrolidine-2-carboxamide has a molecular weight of 330.39 g/mol, XLogP of -0.38, 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-cyclopropylpyrrolidine-2-carboxamide is sourced from PubChem (CID 16737760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).