4-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methyloxolane-3-carboxamide

C11H22N2O4 — CID 114151979

IUPAC4-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methyloxolane-3-carboxamide
SMILESCOCC(CCO)NC(=O)C1(C)COCC1N
InChIInChI=1S/C11H22N2O4/c1-11(7-17-6-9(11)12)10(15)13-8(3-4-14)5-16-2/h8-9,14H,3-7,12H2,1-2H3,(H,13,15)
InChIKeyRXJUWRKLPIOANW-UHFFFAOYSA-N
MW246.31 g/mol
LogP-1.14
Rot. Bonds6

About 4-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methyloxolane-3-carboxamide

4-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methyloxolane-3-carboxamide (PubChem CID 114151979) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methyloxolane-3-carboxamide
PubChem CID114151979
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name4-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methyloxolane-3-carboxamide
SMILESCOCC(CCO)NC(=O)C1(C)COCC1N
InChIInChI=1S/C11H22N2O4/c1-11(7-17-6-9(11)12)10(15)13-8(3-4-14)5-16-2/h8-9,14H,3-7,12H2,1-2H3,(H,13,15)
InChIKeyRXJUWRKLPIOANW-UHFFFAOYSA-N
XLogP-1.14
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3-methyloxolane-3-carboxamide
CID 79249257
methyl (2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]propanoate
CID 66249249
4-amino-N-(1,1-dimethoxypropan-2-yl)-3-methyloxolane-3-carboxamide
CID 66262770
(2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]pentanoic acid
CID 107565154
4-amino-N-(1-amino-1-oxopropan-2-yl)-3-methyloxolane-3-carboxamide
CID 66249428
(2S)-4-amino-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]-4-oxobutanoic acid
CID 114005176
4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methyloxolane-3-carboxamide
CID 66250598
(2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 66250458
1-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)cyclohexane-1-carboxamide
CID 106161157
4-amino-3-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]oxolane-3-carboxamide
CID 113405137
4-amino-N-(2-ethoxyethyl)-3-methyloxolane-3-carboxamide
CID 66249824
4-amino-N-(1-cyclohexylpropyl)-3-methyloxolane-3-carboxamide
CID 66263325

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methyloxolane-3-carboxamide (CID 114151979) is 4-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methyloxolane-3-carboxamide is COCC(CCO)NC(=O)C1(C)COCC1N.
What is the InChIKey of 4-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methyloxolane-3-carboxamide?
The InChIKey is RXJUWRKLPIOANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-11(7-17-6-9(11)12)10(15)13-8(3-4-14)5-16-2/h8-9,14H,3-7,12H2,1-2H3,(H,13,15).
What are the key properties of 4-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methyloxolane-3-carboxamide?
4-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methyloxolane-3-carboxamide has a molecular weight of 246.31 g/mol, XLogP of -1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 114151979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).