2-methyl-3-(propylamino)oxolane-3-carboxylic acid

C9H17NO3 — CID 82718479

IUPAC2-methyl-3-(propylamino)oxolane-3-carboxylic acid
SMILESCCCNC1(C(=O)O)CCOC1C
InChIInChI=1S/C9H17NO3/c1-3-5-10-9(8(11)12)4-6-13-7(9)2/h7,10H,3-6H2,1-2H3,(H,11,12)
InChIKeySZNPTGMLCJMNMZ-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.62
Rot. Bonds4

About 2-methyl-3-(propylamino)oxolane-3-carboxylic acid

2-methyl-3-(propylamino)oxolane-3-carboxylic acid (PubChem CID 82718479) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-methyl-3-(propylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(propylamino)oxolane-3-carboxylic acid
PubChem CID82718479
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-methyl-3-(propylamino)oxolane-3-carboxylic acid
SMILESCCCNC1(C(=O)O)CCOC1C
InChIInChI=1S/C9H17NO3/c1-3-5-10-9(8(11)12)4-6-13-7(9)2/h7,10H,3-6H2,1-2H3,(H,11,12)
InChIKeySZNPTGMLCJMNMZ-UHFFFAOYSA-N
XLogP0.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-azidoethylamino)-2-methyloxolane-3-carboxylic acid
CID 82718325
3-(cyclopentylamino)-2-methyloxolane-3-carboxylic acid
CID 82719422
3-[2-(dimethylamino)ethylamino]-2-methyloxolane-3-carboxamide
CID 82717987
ethyl 3-(2-azidoethylamino)-2-methyloxolane-3-carboxylate
CID 82718490
ethyl 3-[2-(dimethylamino)ethylamino]-2-methyloxolane-3-carboxylate
CID 82718775
3-(aminomethyl)-2-methyl-N-propyloxolan-3-amine
CID 82718753
methyl 3-(cyclopropylmethylamino)-2-methyloxolane-3-carboxylate
CID 82719303
2-[2-(2-methylmorpholin-4-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79577294
2-methylsulfonyl-1-(propylamino)cyclopentane-1-carboxylic acid
CID 65045017
2-methyl-3-(3-methylanilino)oxolane-3-carboxylic acid
CID 82717416
2-(2-morpholin-4-ylethyl)-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79575876
3-(3-chloroanilino)-2-methyloxolane-3-carboxylic acid
CID 82719069

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(propylamino)oxolane-3-carboxylic acid?
The IUPAC name of 2-methyl-3-(propylamino)oxolane-3-carboxylic acid (CID 82718479) is 2-methyl-3-(propylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(propylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 2-methyl-3-(propylamino)oxolane-3-carboxylic acid is CCCNC1(C(=O)O)CCOC1C.
What is the InChIKey of 2-methyl-3-(propylamino)oxolane-3-carboxylic acid?
The InChIKey is SZNPTGMLCJMNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-5-10-9(8(11)12)4-6-13-7(9)2/h7,10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-methyl-3-(propylamino)oxolane-3-carboxylic acid?
2-methyl-3-(propylamino)oxolane-3-carboxylic acid has a molecular weight of 187.24 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(propylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 82718479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).