(2R)-N,N-dimethyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]propanamide

C12H22N2O3 — CID 94114407

IUPAC(2R)-N,N-dimethyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]propanamide
SMILESC[C@@H](NC(=O)CC[C@@H]1CCCO1)C(=O)N(C)C
InChIInChI=1S/C12H22N2O3/c1-9(12(16)14(2)3)13-11(15)7-6-10-5-4-8-17-10/h9-10H,4-8H2,1-3H3,(H,13,15)/t9-,10+/m1/s1
InChIKeyIXSDORRHILOLBB-ZJUUUORDSA-N
MW242.32 g/mol
LogP0.54
Rot. Bonds5

About (2R)-N,N-dimethyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]propanamide

(2R)-N,N-dimethyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]propanamide (PubChem CID 94114407) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (2R)-N,N-dimethyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]propanamide.

Molecular Properties

Compound Name(2R)-N,N-dimethyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]propanamide
PubChem CID94114407
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(2R)-N,N-dimethyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]propanamide
SMILESC[C@@H](NC(=O)CC[C@@H]1CCCO1)C(=O)N(C)C
InChIInChI=1S/C12H22N2O3/c1-9(12(16)14(2)3)13-11(15)7-6-10-5-4-8-17-10/h9-10H,4-8H2,1-3H3,(H,13,15)/t9-,10+/m1/s1
InChIKeyIXSDORRHILOLBB-ZJUUUORDSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-(oxan-2-yl)propanoylamino]propanoate
CID 63953576
N-(1,3-dihydroxypropan-2-yl)-3-(oxolan-2-yl)propanamide
CID 65312487
N-(1-bromo-4-methylpentan-2-yl)-3-(oxolan-2-yl)propanamide
CID 114311800
N-(1-chloropropan-2-yl)-3-(oxan-2-yl)propanamide
CID 114299597
N-(1-bromo-4-methylpentan-3-yl)-3-(oxolan-2-yl)propanamide
CID 106355140
3-(oxolan-2-yl)-N-(1-piperidin-4-ylethyl)propanamide
CID 65154890
N-[(2S)-2-hydroxypropyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 93044550
N-(2-chloropropyl)-3-(oxolan-2-yl)propanamide
CID 114296653
(2R)-3-methyl-2-[3-(oxan-2-yl)propanoylamino]butanoic acid
CID 79010668
N-(1-chloro-3-methylbutan-2-yl)-3-(oxan-2-yl)propanamide
CID 114305527
3-cyclopropyl-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid
CID 81362728
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 51938197

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dimethyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]propanamide?
The IUPAC name of (2R)-N,N-dimethyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]propanamide (CID 94114407) is (2R)-N,N-dimethyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]propanamide.
What is the SMILES notation for (2R)-N,N-dimethyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]propanamide?
The canonical SMILES for (2R)-N,N-dimethyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]propanamide is C[C@@H](NC(=O)CC[C@@H]1CCCO1)C(=O)N(C)C.
What is the InChIKey of (2R)-N,N-dimethyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]propanamide?
The InChIKey is IXSDORRHILOLBB-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(12(16)14(2)3)13-11(15)7-6-10-5-4-8-17-10/h9-10H,4-8H2,1-3H3,(H,13,15)/t9-,10+/m1/s1.
What are the key properties of (2R)-N,N-dimethyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]propanamide?
(2R)-N,N-dimethyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]propanamide has a molecular weight of 242.32 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dimethyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]propanamide is sourced from PubChem (CID 94114407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).