4-[(4-amino-3-methyloxolane-3-carbonyl)-propan-2-ylamino]butanoic acid

C13H24N2O4 — CID 66250273

IUPAC4-[(4-amino-3-methyloxolane-3-carbonyl)-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)C1(C)COCC1N
InChIInChI=1S/C13H24N2O4/c1-9(2)15(6-4-5-11(16)17)12(18)13(3)8-19-7-10(13)14/h9-10H,4-8,14H2,1-3H3,(H,16,17)
InChIKeyQETWUULABMVXHZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.45
Rot. Bonds6

About 4-[(4-amino-3-methyloxolane-3-carbonyl)-propan-2-ylamino]butanoic acid

4-[(4-amino-3-methyloxolane-3-carbonyl)-propan-2-ylamino]butanoic acid (PubChem CID 66250273) has the molecular formula C13H24N2O4 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[(4-amino-3-methyloxolane-3-carbonyl)-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[(4-amino-3-methyloxolane-3-carbonyl)-propan-2-ylamino]butanoic acid
PubChem CID66250273
Molecular FormulaC13H24N2O4
Molecular Weight272.35 g/mol
Exact Mass272.17
IUPAC Name4-[(4-amino-3-methyloxolane-3-carbonyl)-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)C1(C)COCC1N
InChIInChI=1S/C13H24N2O4/c1-9(2)15(6-4-5-11(16)17)12(18)13(3)8-19-7-10(13)14/h9-10H,4-8,14H2,1-3H3,(H,16,17)
InChIKeyQETWUULABMVXHZ-UHFFFAOYSA-N
XLogP0.45
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-hydroxyethyl)-3-methyl-N-propan-2-yloxolane-3-carboxamide
CID 66248252
4-amino-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 66250249
4-amino-N-(1-cyclopropylethyl)-N,3-dimethyloxolane-3-carboxamide
CID 66250403
4-amino-N,3-dimethyl-N-(3-phenylpropyl)oxolane-3-carboxamide
CID 66249430
2-amino-N-(3-hydroxypropyl)-1-methyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 82765944
4-[3-aminobutanoyl(propan-2-yl)amino]butanoic acid
CID 61160723
4-[(1-amino-3-methylcyclohexanecarbonyl)-propan-2-ylamino]butanoic acid
CID 64552529
(3S,4S)-4-amino-1-[3-carboxypropyl(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 5278237
4-amino-N,3-dimethyl-N-(oxan-4-yl)oxolane-3-carboxamide
CID 66250019
4-amino-N-[(3-hydroxycyclobutyl)methyl]-N,3-dimethyloxolane-3-carboxamide
CID 66263908
4-amino-N-[2-(ethylamino)-2-oxoethyl]-N,3-dimethyloxolane-3-carboxamide
CID 66249276
4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methyloxolane-3-carboxamide
CID 66250442

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3-methyloxolane-3-carbonyl)-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[(4-amino-3-methyloxolane-3-carbonyl)-propan-2-ylamino]butanoic acid (CID 66250273) is 4-[(4-amino-3-methyloxolane-3-carbonyl)-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[(4-amino-3-methyloxolane-3-carbonyl)-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[(4-amino-3-methyloxolane-3-carbonyl)-propan-2-ylamino]butanoic acid is CC(C)N(CCCC(=O)O)C(=O)C1(C)COCC1N.
What is the InChIKey of 4-[(4-amino-3-methyloxolane-3-carbonyl)-propan-2-ylamino]butanoic acid?
The InChIKey is QETWUULABMVXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9(2)15(6-4-5-11(16)17)12(18)13(3)8-19-7-10(13)14/h9-10H,4-8,14H2,1-3H3,(H,16,17).
What are the key properties of 4-[(4-amino-3-methyloxolane-3-carbonyl)-propan-2-ylamino]butanoic acid?
4-[(4-amino-3-methyloxolane-3-carbonyl)-propan-2-ylamino]butanoic acid has a molecular weight of 272.35 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3-methyloxolane-3-carbonyl)-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 66250273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).