1-(1-methoxybutan-2-yl)pyrrolidine-3-carboxylic acid

C10H19NO3 — CID 65066414

IUPAC1-(1-methoxybutan-2-yl)pyrrolidine-3-carboxylic acid
SMILESCCC(COC)N1CCC(C(=O)O)C1
InChIInChI=1S/C10H19NO3/c1-3-9(7-14-2)11-5-4-8(6-11)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyBMVDFXHNFBXGKP-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.82
Rot. Bonds5

About 1-(1-methoxybutan-2-yl)pyrrolidine-3-carboxylic acid

1-(1-methoxybutan-2-yl)pyrrolidine-3-carboxylic acid (PubChem CID 65066414) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(1-methoxybutan-2-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-methoxybutan-2-yl)pyrrolidine-3-carboxylic acid
PubChem CID65066414
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name1-(1-methoxybutan-2-yl)pyrrolidine-3-carboxylic acid
SMILESCCC(COC)N1CCC(C(=O)O)C1
InChIInChI=1S/C10H19NO3/c1-3-9(7-14-2)11-5-4-8(6-11)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyBMVDFXHNFBXGKP-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 55150446
1-(1-methoxybutan-2-yl)pyrrolidine-2-carboxylic acid
CID 65056161
3-(3-methoxypyrrolidin-1-yl)pentanoic acid
CID 103540425
1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 63032568
1-butan-2-ylpiperidine-4-carboxylic acid
CID 43441619
1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904594
2-[1-(1-methoxybutan-2-yl)piperidin-2-yl]acetic acid
CID 65063547
2-(1-methoxybutan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939042
1-(3-methoxypropanoyl)pyrrolidine-3-carboxylic acid
CID 63030606
1-(3-methoxypropyl)pyrrolidine-3-carboxylic acid
CID 63032422
(3S)-1-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 27440266
1-(1-methoxyhexan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 122002874

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxybutan-2-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1-methoxybutan-2-yl)pyrrolidine-3-carboxylic acid (CID 65066414) is 1-(1-methoxybutan-2-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-methoxybutan-2-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1-methoxybutan-2-yl)pyrrolidine-3-carboxylic acid is CCC(COC)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-(1-methoxybutan-2-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is BMVDFXHNFBXGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-9(7-14-2)11-5-4-8(6-11)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 1-(1-methoxybutan-2-yl)pyrrolidine-3-carboxylic acid?
1-(1-methoxybutan-2-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 201.27 g/mol, XLogP of 0.82, 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-3-carboxylic acid is sourced from PubChem (CID 65066414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).