(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide

C15H26N4O2 — CID 95326466

IUPAC(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide
SMILESC[C@H](N[C@H](C)[C@H](C)n1cccn1)C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C15H26N4O2/c1-11(13(3)19-8-5-7-17-19)18-12(2)15(20)16-10-14-6-4-9-21-14/h5,7-8,11-14,18H,4,6,9-10H2,1-3H3,(H,16,20)/t11-,12+,13+,14+/m1/s1
InChIKeyURRVTEZRCXBMGK-RFGFWPKPSA-N
MW294.40 g/mol
LogP1.11
Rot. Bonds7

About (2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide

(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide (PubChem CID 95326466) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is (2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide
PubChem CID95326466
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide
SMILESC[C@H](N[C@H](C)[C@H](C)n1cccn1)C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C15H26N4O2/c1-11(13(3)19-8-5-7-17-19)18-12(2)15(20)16-10-14-6-4-9-21-14/h5,7-8,11-14,18H,4,6,9-10H2,1-3H3,(H,16,20)/t11-,12+,13+,14+/m1/s1
InChIKeyURRVTEZRCXBMGK-RFGFWPKPSA-N
XLogP1.11
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 124737381
(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide
CID 124852947
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-(propanoylamino)propanamide
CID 94796972
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95979166
(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 61145996
2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 24697469
2-(4-bromo-3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 19533299
(2S)-2-[2-(dimethylamino)ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 7437265
2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 19475536
N-[(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]propan-2-yl]furan-2-carboxamide
CID 34747152
5-methyl-N-[(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]propan-2-yl]-1,2-oxazole-3-carboxamide
CID 97478228

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide?
The IUPAC name of (2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide (CID 95326466) is (2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide.
What is the SMILES notation for (2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide?
The canonical SMILES for (2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide is C[C@H](N[C@H](C)[C@H](C)n1cccn1)C(=O)NC[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide?
The InChIKey is URRVTEZRCXBMGK-RFGFWPKPSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-11(13(3)19-8-5-7-17-19)18-12(2)15(20)16-10-14-6-4-9-21-14/h5,7-8,11-14,18H,4,6,9-10H2,1-3H3,(H,16,20)/t11-,12+,13+,14+/m1/s1.
What are the key properties of (2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide?
(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide has a molecular weight of 294.40 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide is sourced from PubChem (CID 95326466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).