(2S,3S)-N-(4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)-3-(2-methylpropyl)pyrrolidine-2-carboxamide

C16H29N3O3 — CID 174354550

IUPAC(2S,3S)-N-(4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)-3-(2-methylpropyl)pyrrolidine-2-carboxamide
SMILESCC(C)C[C@H]1CCN[C@@H]1C(=O)NC(CC1CC1)C(O)C(N)=O
InChIInChI=1S/C16H29N3O3/c1-9(2)7-11-5-6-18-13(11)16(22)19-12(8-10-3-4-10)14(20)15(17)21/h9-14,18,20H,3-8H2,1-2H3,(H2,17,21)(H,19,22)/t11-,12?,13+,14?/m1/s1
InChIKeyOTFPIPWPTIDKBU-ZIHBUVQPSA-N
MW311.43 g/mol
LogP0.14
Rot. Bonds8

About (2S,3S)-N-(4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)-3-(2-methylpropyl)pyrrolidine-2-carboxamide

(2S,3S)-N-(4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)-3-(2-methylpropyl)pyrrolidine-2-carboxamide (PubChem CID 174354550) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is (2S,3S)-N-(4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)-3-(2-methylpropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-(4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)-3-(2-methylpropyl)pyrrolidine-2-carboxamide
PubChem CID174354550
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name(2S,3S)-N-(4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)-3-(2-methylpropyl)pyrrolidine-2-carboxamide
SMILESCC(C)C[C@H]1CCN[C@@H]1C(=O)NC(CC1CC1)C(O)C(N)=O
InChIInChI=1S/C16H29N3O3/c1-9(2)7-11-5-6-18-13(11)16(22)19-12(8-10-3-4-10)14(20)15(17)21/h9-14,18,20H,3-8H2,1-2H3,(H2,17,21)(H,19,22)/t11-,12?,13+,14?/m1/s1
InChIKeyOTFPIPWPTIDKBU-ZIHBUVQPSA-N
XLogP0.14
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S,3S)-N-(4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)-3-(2-methylpropyl)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,3S)-N-(4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)-3-(2-methylpropyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,3S)-N-(4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)-3-(2-methylpropyl)pyrrolidine-2-carboxamide (CID 174354550) is (2S,3S)-N-(4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)-3-(2-methylpropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,3S)-N-(4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)-3-(2-methylpropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,3S)-N-(4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)-3-(2-methylpropyl)pyrrolidine-2-carboxamide is CC(C)C[C@H]1CCN[C@@H]1C(=O)NC(CC1CC1)C(O)C(N)=O.
What is the InChIKey of (2S,3S)-N-(4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)-3-(2-methylpropyl)pyrrolidine-2-carboxamide?
The InChIKey is OTFPIPWPTIDKBU-ZIHBUVQPSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-9(2)7-11-5-6-18-13(11)16(22)19-12(8-10-3-4-10)14(20)15(17)21/h9-14,18,20H,3-8H2,1-2H3,(H2,17,21)(H,19,22)/t11-,12?,13+,14?/m1/s1.
What are the key properties of (2S,3S)-N-(4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)-3-(2-methylpropyl)pyrrolidine-2-carboxamide?
(2S,3S)-N-(4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)-3-(2-methylpropyl)pyrrolidine-2-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 0.14, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-(4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)-3-(2-methylpropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 174354550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).