1-(1-methoxybutan-2-yl)pyrrolidine-2-carboxylic acid

C10H19NO3 — CID 65056161

IUPAC1-(1-methoxybutan-2-yl)pyrrolidine-2-carboxylic acid
SMILESCCC(COC)N1CCCC1C(=O)O
InChIInChI=1S/C10H19NO3/c1-3-8(7-14-2)11-6-4-5-9(11)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyBQRSHGAEHMEQCQ-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.96
Rot. Bonds5

About 1-(1-methoxybutan-2-yl)pyrrolidine-2-carboxylic acid

1-(1-methoxybutan-2-yl)pyrrolidine-2-carboxylic acid (PubChem CID 65056161) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(1-methoxybutan-2-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-methoxybutan-2-yl)pyrrolidine-2-carboxylic acid
PubChem CID65056161
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name1-(1-methoxybutan-2-yl)pyrrolidine-2-carboxylic acid
SMILESCCC(COC)N1CCCC1C(=O)O
InChIInChI=1S/C10H19NO3/c1-3-8(7-14-2)11-6-4-5-9(11)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyBQRSHGAEHMEQCQ-UHFFFAOYSA-N
XLogP0.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1-methoxybutan-2-yl)piperidin-2-yl]acetic acid
CID 65063547
1-(1-methoxybutan-2-yl)pyrrolidine-3-carboxylic acid
CID 65066414
1-(dihydroxymethyl)pyrrolidine-2-carboxylic acid
CID 22996998
1-(1-cyclopropylpropyl)piperidine-2-carboxylic acid
CID 65054107
1-(1-carboxyethyl)pyrrolidine-2-carboxylic acid
CID 110185971
1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid
CID 43440972
1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid
CID 60759443
1-(3-methoxy-2-methylpropyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122068683
1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
CID 16773864
1-octan-2-ylpyrrolidine-2-carboxylic acid
CID 65056476
1-(1-methoxy-1-oxopropan-2-yl)piperidine-2-carboxylic acid
CID 82223955
1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 65056599

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxybutan-2-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1-methoxybutan-2-yl)pyrrolidine-2-carboxylic acid (CID 65056161) is 1-(1-methoxybutan-2-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-methoxybutan-2-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1-methoxybutan-2-yl)pyrrolidine-2-carboxylic acid is CCC(COC)N1CCCC1C(=O)O.
What is the InChIKey of 1-(1-methoxybutan-2-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is BQRSHGAEHMEQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-8(7-14-2)11-6-4-5-9(11)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 1-(1-methoxybutan-2-yl)pyrrolidine-2-carboxylic acid?
1-(1-methoxybutan-2-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 201.27 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxybutan-2-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65056161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).