(2R)-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide

C16H28N4O2 — CID 124737381

IUPAC(2R)-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESCc1cnn([C@H](C)[C@H](C)N[C@H](C)C(=O)NC[C@@H]2CCCO2)c1
InChIInChI=1S/C16H28N4O2/c1-11-8-18-20(10-11)14(4)12(2)19-13(3)16(21)17-9-15-6-5-7-22-15/h8,10,12-15,19H,5-7,9H2,1-4H3,(H,17,21)/t12-,13+,14+,15-/m0/s1
InChIKeyPRKLZYWQHWAHIN-YJNKXOJESA-N
MW308.43 g/mol
LogP1.41
Rot. Bonds7

About (2R)-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide

(2R)-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide (PubChem CID 124737381) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is (2R)-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
PubChem CID124737381
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name(2R)-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESCc1cnn([C@H](C)[C@H](C)N[C@H](C)C(=O)NC[C@@H]2CCCO2)c1
InChIInChI=1S/C16H28N4O2/c1-11-8-18-20(10-11)14(4)12(2)19-13(3)16(21)17-9-15-6-5-7-22-15/h8,10,12-15,19H,5-7,9H2,1-4H3,(H,17,21)/t12-,13+,14+,15-/m0/s1
InChIKeyPRKLZYWQHWAHIN-YJNKXOJESA-N
XLogP1.41
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide
CID 95326466
(2S)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 95305228
2-(4-bromo-3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 19533299
(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide
CID 124852947
2-[4-(oxolan-2-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622066
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
5-methyl-N-[(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]propan-2-yl]-1,2-oxazole-3-carboxamide
CID 97478228
(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-(propanoylamino)propanamide
CID 94796972
(2R)-2-(4-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 837819
(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 61145996
2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 24697469
3-amino-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119670098

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of (2R)-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide (CID 124737381) is (2R)-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for (2R)-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for (2R)-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide is Cc1cnn([C@H](C)[C@H](C)N[C@H](C)C(=O)NC[C@@H]2CCCO2)c1.
What is the InChIKey of (2R)-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The InChIKey is PRKLZYWQHWAHIN-YJNKXOJESA-N. The full InChI is InChI=1S/C16H28N4O2/c1-11-8-18-20(10-11)14(4)12(2)19-13(3)16(21)17-9-15-6-5-7-22-15/h8,10,12-15,19H,5-7,9H2,1-4H3,(H,17,21)/t12-,13+,14+,15-/m0/s1.
What are the key properties of (2R)-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
(2R)-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide has a molecular weight of 308.43 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 124737381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).