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

C13H21N5O2 — CID 119330173

IUPAC(2S)-2-amino-3-methyl-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]butanamide
SMILESCC(C)[C@H](N)C(=O)NC1CCN(c2cnn(C)c2)C1=O
InChIInChI=1S/C13H21N5O2/c1-8(2)11(14)12(19)16-10-4-5-18(13(10)20)9-6-15-17(3)7-9/h6-8,10-11H,4-5,14H2,1-3H3,(H,16,19)/t10?,11-/m0/s1
InChIKeyZLUFEIAUYYUUTD-DTIOYNMSSA-N
MW279.34 g/mol
LogP-0.38
Rot. Bonds4

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

(2S)-2-amino-3-methyl-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]butanamide (PubChem CID 119330173) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]butanamide
PubChem CID119330173
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name(2S)-2-amino-3-methyl-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]butanamide
SMILESCC(C)[C@H](N)C(=O)NC1CCN(c2cnn(C)c2)C1=O
InChIInChI=1S/C13H21N5O2/c1-8(2)11(14)12(19)16-10-4-5-18(13(10)20)9-6-15-17(3)7-9/h6-8,10-11H,4-5,14H2,1-3H3,(H,16,19)/t10?,11-/m0/s1
InChIKeyZLUFEIAUYYUUTD-DTIOYNMSSA-N
XLogP-0.38
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride
CID 120668675
N-[(3R)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide
CID 124615530
3-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylpropanamide
CID 119951802
(2S)-N-[(3R)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-2-phenylpentanamide
CID 95629604
7-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride
CID 119795297
(Z)-N-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
CID 98525887
(3R)-3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 124577010
(2S,5R)-5-(aminomethyl)-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide;hydrochloride
CID 120794195
N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119330157
(3S)-3-[[(2S)-6-methylhept-5-en-2-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 97101447
1-(1-methylpyrazol-4-yl)-3-(pyridin-2-ylamino)pyrrolidin-2-one
CID 133306421
4-methoxy-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylbenzamide
CID 126780344

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]butanamide (CID 119330173) is (2S)-2-amino-3-methyl-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]butanamide is CC(C)[C@H](N)C(=O)NC1CCN(c2cnn(C)c2)C1=O.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]butanamide?
The InChIKey is ZLUFEIAUYYUUTD-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-8(2)11(14)12(19)16-10-4-5-18(13(10)20)9-6-15-17(3)7-9/h6-8,10-11H,4-5,14H2,1-3H3,(H,16,19)/t10?,11-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]butanamide?
(2S)-2-amino-3-methyl-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]butanamide has a molecular weight of 279.34 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]butanamide is sourced from PubChem (CID 119330173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).