(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)propanamide

C10H20N2O2 — CID 61148831

IUPAC(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)propanamide
SMILESCCN(CC1CCOC1)C(=O)[C@H](C)N
InChIInChI=1S/C10H20N2O2/c1-3-12(10(13)8(2)11)6-9-4-5-14-7-9/h8-9H,3-7,11H2,1-2H3/t8-,9?/m0/s1
InChIKeyXSSXAWODMPJHKH-IENPIDJESA-N
MW200.28 g/mol
LogP0.22
Rot. Bonds4

About (2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)propanamide

(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)propanamide (PubChem CID 61148831) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)propanamide
PubChem CID61148831
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)propanamide
SMILESCCN(CC1CCOC1)C(=O)[C@H](C)N
InChIInChI=1S/C10H20N2O2/c1-3-12(10(13)8(2)11)6-9-4-5-14-7-9/h8-9H,3-7,11H2,1-2H3/t8-,9?/m0/s1
InChIKeyXSSXAWODMPJHKH-IENPIDJESA-N
XLogP0.22
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-ethyl-2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 62668913
2-amino-N-ethyl-N-(oxolan-3-ylmethyl)hexanamide
CID 54874277
N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 51082548
N-ethyl-3-methyl-N-[[(3S)-oxolan-3-yl]methyl]butanamide
CID 94186751
2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(oxolan-3-ylmethyl)propanamide
CID 76894991
(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)-4-phenylbutanamide
CID 104984084
2-amino-N-ethyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide
CID 114995328
N,N-diethyl-2-(oxolan-3-ylmethylamino)propanamide
CID 43433587
5-[ethyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62964406
N-ethyl-N-(oxolan-3-ylmethyl)-3-(propan-2-ylamino)propanamide
CID 54874267
(2S)-2-amino-N-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 66565879
1-amino-N-ethyl-N-(oxolan-3-ylmethyl)cyclobutane-1-carboxamide
CID 81172156

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)propanamide?
The IUPAC name of (2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)propanamide (CID 61148831) is (2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)propanamide is CCN(CC1CCOC1)C(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)propanamide?
The InChIKey is XSSXAWODMPJHKH-IENPIDJESA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-12(10(13)8(2)11)6-9-4-5-14-7-9/h8-9H,3-7,11H2,1-2H3/t8-,9?/m0/s1.
What are the key properties of (2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)propanamide?
(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)propanamide has a molecular weight of 200.28 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)propanamide is sourced from PubChem (CID 61148831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).