2-[[4-methyl-1-oxo-1-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]pentan-2-yl]amino]butanoic acid

C19H29N3O3 — CID 174424465

IUPAC2-[[4-methyl-1-oxo-1-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]pentan-2-yl]amino]butanoic acid
SMILESCCC(NC(CC(C)C)C(=O)N1CCC[C@H]1c1cccnc1)C(=O)O
InChIInChI=1S/C19H29N3O3/c1-4-15(19(24)25)21-16(11-13(2)3)18(23)22-10-6-8-17(22)14-7-5-9-20-12-14/h5,7,9,12-13,15-17,21H,4,6,8,10-11H2,1-3H3,(H,24,25)/t15?,16?,17-/m0/s1
InChIKeyDVSKFIULHMOENE-JCYILVPMSA-N
MW347.46 g/mol
LogP2.61
Rot. Bonds8

About 2-[[4-methyl-1-oxo-1-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]pentan-2-yl]amino]butanoic acid

2-[[4-methyl-1-oxo-1-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]pentan-2-yl]amino]butanoic acid (PubChem CID 174424465) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[[4-methyl-1-oxo-1-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]pentan-2-yl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[4-methyl-1-oxo-1-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]pentan-2-yl]amino]butanoic acid
PubChem CID174424465
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name2-[[4-methyl-1-oxo-1-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]pentan-2-yl]amino]butanoic acid
SMILESCCC(NC(CC(C)C)C(=O)N1CCC[C@H]1c1cccnc1)C(=O)O
InChIInChI=1S/C19H29N3O3/c1-4-15(19(24)25)21-16(11-13(2)3)18(23)22-10-6-8-17(22)14-7-5-9-20-12-14/h5,7,9,12-13,15-17,21H,4,6,8,10-11H2,1-3H3,(H,24,25)/t15?,16?,17-/m0/s1
InChIKeyDVSKFIULHMOENE-JCYILVPMSA-N
XLogP2.61
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[4-methyl-1-oxo-1-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]pentan-2-yl]amino]butanoic acid with MolForge

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Related Compounds

(2R)-4-(1,3-dioxobenzo[f]isoindol-2-yl)-2-[[(2S)-4-methyl-1-oxo-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]pentan-2-yl]amino]butanoic acid
CID 10053082
2-bromo-1-(2-pyridin-3-ylpyrrolidin-1-yl)butan-1-one
CID 55125872
(2R)-2-[[(2S)-4-methyl-1-oxo-1-[(2S)-3-oxo-2-phenylpiperazin-1-yl]pentan-2-yl]amino]butanoic acid
CID 142649557
4-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)pentan-1-one
CID 14233094
4-(propan-2-ylamino)-1-(2-pyridin-3-ylpyrrolidin-1-yl)butan-1-one
CID 60850960
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone
CID 14619396
(2-pyridin-3-ylpyrrolidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 136529691
6-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)octan-1-one
CID 154735172
(Z)-2-methyl-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]pent-2-en-1-one
CID 95339397
2,2-dimethyl-4-oxo-4-(2-pyridin-3-ylpyrrolidin-1-yl)butanoic acid
CID 65302628
3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
CID 159143425

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methyl-1-oxo-1-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]pentan-2-yl]amino]butanoic acid?
The IUPAC name of 2-[[4-methyl-1-oxo-1-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]pentan-2-yl]amino]butanoic acid (CID 174424465) is 2-[[4-methyl-1-oxo-1-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]pentan-2-yl]amino]butanoic acid.
What is the SMILES notation for 2-[[4-methyl-1-oxo-1-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]pentan-2-yl]amino]butanoic acid?
The canonical SMILES for 2-[[4-methyl-1-oxo-1-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]pentan-2-yl]amino]butanoic acid is CCC(NC(CC(C)C)C(=O)N1CCC[C@H]1c1cccnc1)C(=O)O.
What is the InChIKey of 2-[[4-methyl-1-oxo-1-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]pentan-2-yl]amino]butanoic acid?
The InChIKey is DVSKFIULHMOENE-JCYILVPMSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-4-15(19(24)25)21-16(11-13(2)3)18(23)22-10-6-8-17(22)14-7-5-9-20-12-14/h5,7,9,12-13,15-17,21H,4,6,8,10-11H2,1-3H3,(H,24,25)/t15?,16?,17-/m0/s1.
What are the key properties of 2-[[4-methyl-1-oxo-1-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]pentan-2-yl]amino]butanoic acid?
2-[[4-methyl-1-oxo-1-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]pentan-2-yl]amino]butanoic acid has a molecular weight of 347.46 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methyl-1-oxo-1-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]pentan-2-yl]amino]butanoic acid is sourced from PubChem (CID 174424465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).