(2R)-N,N-diethyl-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]propanamide

C13H25N3O3 — CID 95352951

IUPAC(2R)-N,N-diethyl-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]propanamide
SMILESCCN(CC)C(=O)[C@@H](C)NC(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C13H25N3O3/c1-4-16(5-2)12(17)10(3)15-13(18)14-9-11-7-6-8-19-11/h10-11H,4-9H2,1-3H3,(H2,14,15,18)/t10-,11+/m1/s1
InChIKeyHDVONIYTWOQBKT-MNOVXSKESA-N
MW271.36 g/mol
LogP0.72
Rot. Bonds6

About (2R)-N,N-diethyl-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]propanamide

(2R)-N,N-diethyl-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]propanamide (PubChem CID 95352951) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2R)-N,N-diethyl-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]propanamide.

Molecular Properties

Compound Name(2R)-N,N-diethyl-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]propanamide
PubChem CID95352951
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name(2R)-N,N-diethyl-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]propanamide
SMILESCCN(CC)C(=O)[C@@H](C)NC(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C13H25N3O3/c1-4-16(5-2)12(17)10(3)15-13(18)14-9-11-7-6-8-19-11/h10-11H,4-9H2,1-3H3,(H2,14,15,18)/t10-,11+/m1/s1
InChIKeyHDVONIYTWOQBKT-MNOVXSKESA-N
XLogP0.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 62638434
N-ethyl-N-(oxolan-2-ylmethyl)-2-(phenylcarbamoylamino)propanamide
CID 51091586
2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid
CID 61191777
3-methyl-2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid
CID 3352161
N',N'-diethyl-N-(oxolan-2-ylmethyl)propanediamide
CID 108943661
(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-(propanoylamino)propanamide
CID 94796972
2-methyl-3-(oxolan-2-ylmethylcarbamoylamino)propanoic acid
CID 62669383
4-methyl-2-(oxolan-2-ylmethylcarbamoylamino)pentanoic acid
CID 4037281
1-(1-hydroxy-4-methylpentan-3-yl)-3-(oxolan-2-ylmethyl)urea
CID 111470902
(2R)-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]-N-phenylpropanamide
CID 95767130
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
3-methyl-2-[(oxolan-2-ylmethylcarbamoylamino)methyl]butanoic acid
CID 65218986

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-diethyl-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]propanamide?
The IUPAC name of (2R)-N,N-diethyl-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]propanamide (CID 95352951) is (2R)-N,N-diethyl-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]propanamide.
What is the SMILES notation for (2R)-N,N-diethyl-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]propanamide?
The canonical SMILES for (2R)-N,N-diethyl-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]propanamide is CCN(CC)C(=O)[C@@H](C)NC(=O)NC[C@@H]1CCCO1.
What is the InChIKey of (2R)-N,N-diethyl-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]propanamide?
The InChIKey is HDVONIYTWOQBKT-MNOVXSKESA-N. The full InChI is InChI=1S/C13H25N3O3/c1-4-16(5-2)12(17)10(3)15-13(18)14-9-11-7-6-8-19-11/h10-11H,4-9H2,1-3H3,(H2,14,15,18)/t10-,11+/m1/s1.
What are the key properties of (2R)-N,N-diethyl-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]propanamide?
(2R)-N,N-diethyl-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]propanamide has a molecular weight of 271.36 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-diethyl-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]propanamide is sourced from PubChem (CID 95352951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).