(2S)-N-[(2S)-1-[(2S)-2-[(3-amino-2-oxo-5-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide

C22H41N5O3 — CID 59423220

IUPAC(2S)-N-[(2S)-1-[(2S)-2-[(3-amino-2-oxo-5-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1CN1C(=O)C(N)CC1C(C)C)C(C)(C)C
InChIInChI=1S/C22H41N5O3/c1-13(2)17-11-16(23)20(29)27(17)12-15-9-8-10-26(15)21(30)18(22(4,5)6)25-19(28)14(3)24-7/h13-18,24H,8-12,23H2,1-7H3,(H,25,28)/t14-,15-,16?,17?,18+/m0/s1
InChIKeyMCYMKTWMVOSTAG-NRNWYNIKSA-N
MW423.60 g/mol
LogP0.70
Rot. Bonds7

About (2S)-N-[(2S)-1-[(2S)-2-[(3-amino-2-oxo-5-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide

(2S)-N-[(2S)-1-[(2S)-2-[(3-amino-2-oxo-5-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide (PubChem CID 59423220) has the molecular formula C22H41N5O3 and a molecular weight of 423.60 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-[(2S)-2-[(3-amino-2-oxo-5-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-[(2S)-2-[(3-amino-2-oxo-5-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
PubChem CID59423220
Molecular FormulaC22H41N5O3
Molecular Weight423.60 g/mol
Exact Mass423.32
IUPAC Name(2S)-N-[(2S)-1-[(2S)-2-[(3-amino-2-oxo-5-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1CN1C(=O)C(N)CC1C(C)C)C(C)(C)C
InChIInChI=1S/C22H41N5O3/c1-13(2)17-11-16(23)20(29)27(17)12-15-9-8-10-26(15)21(30)18(22(4,5)6)25-19(28)14(3)24-7/h13-18,24H,8-12,23H2,1-7H3,(H,25,28)/t14-,15-,16?,17?,18+/m0/s1
InChIKeyMCYMKTWMVOSTAG-NRNWYNIKSA-N
XLogP0.70
TPSA107.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.60
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[(2S)-1-[(2S)-2-[(3-amino-2-oxo-5-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-[(2S)-2-[(3-amino-2-oxo-5-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide?
The IUPAC name of (2S)-N-[(2S)-1-[(2S)-2-[(3-amino-2-oxo-5-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide (CID 59423220) is (2S)-N-[(2S)-1-[(2S)-2-[(3-amino-2-oxo-5-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide.
What is the SMILES notation for (2S)-N-[(2S)-1-[(2S)-2-[(3-amino-2-oxo-5-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide?
The canonical SMILES for (2S)-N-[(2S)-1-[(2S)-2-[(3-amino-2-oxo-5-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide is CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1CN1C(=O)C(N)CC1C(C)C)C(C)(C)C.
What is the InChIKey of (2S)-N-[(2S)-1-[(2S)-2-[(3-amino-2-oxo-5-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide?
The InChIKey is MCYMKTWMVOSTAG-NRNWYNIKSA-N. The full InChI is InChI=1S/C22H41N5O3/c1-13(2)17-11-16(23)20(29)27(17)12-15-9-8-10-26(15)21(30)18(22(4,5)6)25-19(28)14(3)24-7/h13-18,24H,8-12,23H2,1-7H3,(H,25,28)/t14-,15-,16?,17?,18+/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-[(2S)-2-[(3-amino-2-oxo-5-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide?
(2S)-N-[(2S)-1-[(2S)-2-[(3-amino-2-oxo-5-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide has a molecular weight of 423.60 g/mol, XLogP of 0.70, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-[(2S)-2-[(3-amino-2-oxo-5-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide is sourced from PubChem (CID 59423220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).