methyl (2S)-4-methyl-2-[(3S)-3-[(2-methylpyrazol-3-yl)amino]-2-oxopyrrolidin-1-yl]pentanoate

C15H24N4O3 — CID 165384316

IUPACmethyl (2S)-4-methyl-2-[(3S)-3-[(2-methylpyrazol-3-yl)amino]-2-oxopyrrolidin-1-yl]pentanoate
SMILESCOC(=O)[C@H](CC(C)C)N1CC[C@H](Nc2ccnn2C)C1=O
InChIInChI=1S/C15H24N4O3/c1-10(2)9-12(15(21)22-4)19-8-6-11(14(19)20)17-13-5-7-16-18(13)3/h5,7,10-12,17H,6,8-9H2,1-4H3/t11-,12-/m0/s1
InChIKeyIAKKVTSKIVGEMT-RYUDHWBXSA-N
MW308.38 g/mol
LogP1.02
Rot. Bonds6

About methyl (2S)-4-methyl-2-[(3S)-3-[(2-methylpyrazol-3-yl)amino]-2-oxopyrrolidin-1-yl]pentanoate

methyl (2S)-4-methyl-2-[(3S)-3-[(2-methylpyrazol-3-yl)amino]-2-oxopyrrolidin-1-yl]pentanoate (PubChem CID 165384316) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is methyl (2S)-4-methyl-2-[(3S)-3-[(2-methylpyrazol-3-yl)amino]-2-oxopyrrolidin-1-yl]pentanoate.

Molecular Properties

Compound Namemethyl (2S)-4-methyl-2-[(3S)-3-[(2-methylpyrazol-3-yl)amino]-2-oxopyrrolidin-1-yl]pentanoate
PubChem CID165384316
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Namemethyl (2S)-4-methyl-2-[(3S)-3-[(2-methylpyrazol-3-yl)amino]-2-oxopyrrolidin-1-yl]pentanoate
SMILESCOC(=O)[C@H](CC(C)C)N1CC[C@H](Nc2ccnn2C)C1=O
InChIInChI=1S/C15H24N4O3/c1-10(2)9-12(15(21)22-4)19-8-6-11(14(19)20)17-13-5-7-16-18(13)3/h5,7,10-12,17H,6,8-9H2,1-4H3/t11-,12-/m0/s1
InChIKeyIAKKVTSKIVGEMT-RYUDHWBXSA-N
XLogP1.02
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(1-Methylpyrazol-3-yl)amino]-1-propan-2-ylpyrrolidin-2-one
CID 71981220
propan-2-yl (2S)-4-methyl-2-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoate
CID 71853459
3-[[1-(2-Methoxyethyl)pyrazol-3-yl]amino]-1-methylpyrrolidin-2-one
CID 71930924
2-(2,5-dimethylpyrrolidin-1-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]propanamide
CID 75503966
(3S)-N-(2-cyclopentylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 164629745
(2R,4S)-4-fluoro-N-[1-(2-methoxyethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide
CID 120468410
3-methyl-N-(1-{1-[(2-oxo-1-pyrrolidinyl)acetyl]-4-piperidinyl}-1H-pyrazol-5-yl)butanamide
CID 42308281
2-[(3-methyl-1-{[(2-propyl-2,3-dihydro-1H-pyrazol-3-ylidene)carbamoyl]methyl}pyrrolidin-3-yl)amino]acetic acid
CID 128994382
[[(2S)-4-methyl-2-[(3S)-3-[(2-methylpyrazol-3-yl)amino]-2-oxopyrrolidin-1-yl]pentanoyl]amino]-[[(3S)-2-oxopyrrolidin-3-yl]methyl]cyanamide
CID 165384317
(2S)-4-methyl-N-(1-methylpyrazol-3-yl)pyrrolidine-2-carboxamide
CID 169672362
[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691067
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691068

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-4-methyl-2-[(3S)-3-[(2-methylpyrazol-3-yl)amino]-2-oxopyrrolidin-1-yl]pentanoate?
The IUPAC name of methyl (2S)-4-methyl-2-[(3S)-3-[(2-methylpyrazol-3-yl)amino]-2-oxopyrrolidin-1-yl]pentanoate (CID 165384316) is methyl (2S)-4-methyl-2-[(3S)-3-[(2-methylpyrazol-3-yl)amino]-2-oxopyrrolidin-1-yl]pentanoate.
What is the SMILES notation for methyl (2S)-4-methyl-2-[(3S)-3-[(2-methylpyrazol-3-yl)amino]-2-oxopyrrolidin-1-yl]pentanoate?
The canonical SMILES for methyl (2S)-4-methyl-2-[(3S)-3-[(2-methylpyrazol-3-yl)amino]-2-oxopyrrolidin-1-yl]pentanoate is COC(=O)[C@H](CC(C)C)N1CC[C@H](Nc2ccnn2C)C1=O.
What is the InChIKey of methyl (2S)-4-methyl-2-[(3S)-3-[(2-methylpyrazol-3-yl)amino]-2-oxopyrrolidin-1-yl]pentanoate?
The InChIKey is IAKKVTSKIVGEMT-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-10(2)9-12(15(21)22-4)19-8-6-11(14(19)20)17-13-5-7-16-18(13)3/h5,7,10-12,17H,6,8-9H2,1-4H3/t11-,12-/m0/s1.
What are the key properties of methyl (2S)-4-methyl-2-[(3S)-3-[(2-methylpyrazol-3-yl)amino]-2-oxopyrrolidin-1-yl]pentanoate?
methyl (2S)-4-methyl-2-[(3S)-3-[(2-methylpyrazol-3-yl)amino]-2-oxopyrrolidin-1-yl]pentanoate has a molecular weight of 308.38 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-4-methyl-2-[(3S)-3-[(2-methylpyrazol-3-yl)amino]-2-oxopyrrolidin-1-yl]pentanoate is sourced from PubChem (CID 165384316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).