(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-(propanoylamino)propanamide

C11H20N2O3 — CID 94796972

IUPAC(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-(propanoylamino)propanamide
SMILESCCC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C11H20N2O3/c1-3-10(14)13-8(2)11(15)12-7-9-5-4-6-16-9/h8-9H,3-7H2,1-2H3,(H,12,15)(H,13,14)/t8-,9-/m0/s1
InChIKeyQGDXCMJCZBEYBO-IUCAKERBSA-N
MW228.29 g/mol
LogP0.20
Rot. Bonds5

About (2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-(propanoylamino)propanamide

(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-(propanoylamino)propanamide (PubChem CID 94796972) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-(propanoylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-(propanoylamino)propanamide
PubChem CID94796972
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-(propanoylamino)propanamide
SMILESCCC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C11H20N2O3/c1-3-10(14)13-8(2)11(15)12-7-9-5-4-6-16-9/h8-9H,3-7H2,1-2H3,(H,12,15)(H,13,14)/t8-,9-/m0/s1
InChIKeyQGDXCMJCZBEYBO-IUCAKERBSA-N
XLogP0.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 61145996
2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 24697469
(2R)-2-bromo-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 94882952
(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide
CID 124852947
(2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 61174562
3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 3509797
(2S)-2-[2-(dimethylamino)ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 7437265
5-methyl-N-[(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]propan-2-yl]-1,2-oxazole-3-carboxamide
CID 97478228
N-[(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]propan-2-yl]furan-2-carboxamide
CID 34747152
(2R)-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 94067063
N'-butan-2-yl-N-(oxolan-2-ylmethyl)oxamide
CID 3149550

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-(propanoylamino)propanamide?
The IUPAC name of (2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-(propanoylamino)propanamide (CID 94796972) is (2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-(propanoylamino)propanamide.
What is the SMILES notation for (2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-(propanoylamino)propanamide?
The canonical SMILES for (2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-(propanoylamino)propanamide is CCC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-(propanoylamino)propanamide?
The InChIKey is QGDXCMJCZBEYBO-IUCAKERBSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-10(14)13-8(2)11(15)12-7-9-5-4-6-16-9/h8-9H,3-7H2,1-2H3,(H,12,15)(H,13,14)/t8-,9-/m0/s1.
What are the key properties of (2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-(propanoylamino)propanamide?
(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-(propanoylamino)propanamide has a molecular weight of 228.29 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-(propanoylamino)propanamide is sourced from PubChem (CID 94796972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).