(2S)-1-[(2S)-2-amino-3-methylbutanoyl]-N-quinolin-6-ylpyrrolidine-2-carboxamide

C19H24N4O2 — CID 44818087

IUPAC(2S)-1-[(2S)-2-amino-3-methylbutanoyl]-N-quinolin-6-ylpyrrolidine-2-carboxamide
SMILESCC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2ncccc2c1
InChIInChI=1S/C19H24N4O2/c1-12(2)17(20)19(25)23-10-4-6-16(23)18(24)22-14-7-8-15-13(11-14)5-3-9-21-15/h3,5,7-9,11-12,16-17H,4,6,10,20H2,1-2H3,(H,22,24)/t16-,17-/m0/s1
InChIKeySHTYMFCEUKUQIB-IRXDYDNUSA-N
MW340.43 g/mol
LogP2.15
Rot. Bonds4

About (2S)-1-[(2S)-2-amino-3-methylbutanoyl]-N-quinolin-6-ylpyrrolidine-2-carboxamide

(2S)-1-[(2S)-2-amino-3-methylbutanoyl]-N-quinolin-6-ylpyrrolidine-2-carboxamide (PubChem CID 44818087) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-amino-3-methylbutanoyl]-N-quinolin-6-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-amino-3-methylbutanoyl]-N-quinolin-6-ylpyrrolidine-2-carboxamide
PubChem CID44818087
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(2S)-1-[(2S)-2-amino-3-methylbutanoyl]-N-quinolin-6-ylpyrrolidine-2-carboxamide
SMILESCC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2ncccc2c1
InChIInChI=1S/C19H24N4O2/c1-12(2)17(20)19(25)23-10-4-6-16(23)18(24)22-14-7-8-15-13(11-14)5-3-9-21-15/h3,5,7-9,11-12,16-17H,4,6,10,20H2,1-2H3,(H,22,24)/t16-,17-/m0/s1
InChIKeySHTYMFCEUKUQIB-IRXDYDNUSA-N
XLogP2.15
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-3-methylbutanoyl)-N-[4-(4-bromophenyl)phenyl]pyrrolidine-2-carboxamide
CID 141292314
(2S)-1-[(2S)-2-amino-3-methylbutanoyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 134235936
(2S)-1-[(2R)-2-amino-3-methylbutanoyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 134235935
(2S)-1-[(2S)-2-aminopropanoyl]-N-phenylpyrrolidine-2-carboxamide
CID 22809937
1-[(1S)-4-ethyl-1,2,3-trimethylcyclopenta-2,4-dien-1-yl]-N-quinolin-6-ylpyrrolidine-2-carboxamide
CID 71482650
(2S)-N-(2-chloroquinolin-6-yl)-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 123233355
(2S)-1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)pyrrolidine-2-carboxamide
CID 117074033
(2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-naphthalen-2-ylpyrrolidine-2-carboxamide
CID 11476147
(2S)-1-(2-aminoacetyl)-N-naphthalen-2-ylpyrrolidine-2-carboxamide
CID 7408102
methyl 1-(quinoline-6-carbonyl)pyrrolidine-2-carboxylate
CID 62298741
1-(2-amino-3-methylbutanoyl)-N-[1-[4-(2-chloro-3-pyridinyl)phenyl]-2-hydroxyethyl]pyrrolidine-2-carboxamide
CID 170956229
1-[(2S)-2-amino-3-methylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 61163718

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-amino-3-methylbutanoyl]-N-quinolin-6-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-2-amino-3-methylbutanoyl]-N-quinolin-6-ylpyrrolidine-2-carboxamide (CID 44818087) is (2S)-1-[(2S)-2-amino-3-methylbutanoyl]-N-quinolin-6-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-2-amino-3-methylbutanoyl]-N-quinolin-6-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-2-amino-3-methylbutanoyl]-N-quinolin-6-ylpyrrolidine-2-carboxamide is CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2ncccc2c1.
What is the InChIKey of (2S)-1-[(2S)-2-amino-3-methylbutanoyl]-N-quinolin-6-ylpyrrolidine-2-carboxamide?
The InChIKey is SHTYMFCEUKUQIB-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-12(2)17(20)19(25)23-10-4-6-16(23)18(24)22-14-7-8-15-13(11-14)5-3-9-21-15/h3,5,7-9,11-12,16-17H,4,6,10,20H2,1-2H3,(H,22,24)/t16-,17-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-amino-3-methylbutanoyl]-N-quinolin-6-ylpyrrolidine-2-carboxamide?
(2S)-1-[(2S)-2-amino-3-methylbutanoyl]-N-quinolin-6-ylpyrrolidine-2-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-amino-3-methylbutanoyl]-N-quinolin-6-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 44818087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).