(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide

C14H24N4O2 — CID 124852947

IUPAC(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide
SMILESC[C@H](Cn1cccn1)N[C@@H](C)C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C14H24N4O2/c1-11(10-18-7-4-6-16-18)17-12(2)14(19)15-9-13-5-3-8-20-13/h4,6-7,11-13,17H,3,5,8-10H2,1-2H3,(H,15,19)/t11-,12+,13-/m1/s1
InChIKeyDGOIHVVPGDBIPA-FRRDWIJNSA-N
MW280.37 g/mol
LogP0.54
Rot. Bonds7

About (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide

(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide (PubChem CID 124852947) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide
PubChem CID124852947
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide
SMILESC[C@H](Cn1cccn1)N[C@@H](C)C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C14H24N4O2/c1-11(10-18-7-4-6-16-18)17-12(2)14(19)15-9-13-5-3-8-20-13/h4,6-7,11-13,17H,3,5,8-10H2,1-2H3,(H,15,19)/t11-,12+,13-/m1/s1
InChIKeyDGOIHVVPGDBIPA-FRRDWIJNSA-N
XLogP0.54
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide with MolForge

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Related Compounds

(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide
CID 95326466
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95979166
(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-(propanoylamino)propanamide
CID 94796972
1-[[(2S)-oxolan-2-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94178029
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111138740
1-[(2S)-3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 51389754
(2R)-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 124737381
3-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide
CID 38615399
(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 61145996
2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 24697469
2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 19475536

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide?
The IUPAC name of (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide (CID 124852947) is (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide.
What is the SMILES notation for (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide?
The canonical SMILES for (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide is C[C@H](Cn1cccn1)N[C@@H](C)C(=O)NC[C@H]1CCCO1.
What is the InChIKey of (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide?
The InChIKey is DGOIHVVPGDBIPA-FRRDWIJNSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-11(10-18-7-4-6-16-18)17-12(2)14(19)15-9-13-5-3-8-20-13/h4,6-7,11-13,17H,3,5,8-10H2,1-2H3,(H,15,19)/t11-,12+,13-/m1/s1.
What are the key properties of (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide?
(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide has a molecular weight of 280.37 g/mol, XLogP of 0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide is sourced from PubChem (CID 124852947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).