1-(2-methylpentan-3-yl)-5-oxopyrrolidine-3-carboxylic acid

C11H19NO3 — CID 61469101

IUPAC1-(2-methylpentan-3-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCCC(C(C)C)N1CC(C(=O)O)CC1=O
InChIInChI=1S/C11H19NO3/c1-4-9(7(2)3)12-6-8(11(14)15)5-10(12)13/h7-9H,4-6H2,1-3H3,(H,14,15)
InChIKeyPASBMCPIGMOEDP-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.35
Rot. Bonds4

About 1-(2-methylpentan-3-yl)-5-oxopyrrolidine-3-carboxylic acid

1-(2-methylpentan-3-yl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 61469101) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(2-methylpentan-3-yl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylpentan-3-yl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID61469101
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1-(2-methylpentan-3-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCCC(C(C)C)N1CC(C(=O)O)CC1=O
InChIInChI=1S/C11H19NO3/c1-4-9(7(2)3)12-6-8(11(14)15)5-10(12)13/h7-9H,4-6H2,1-3H3,(H,14,15)
InChIKeyPASBMCPIGMOEDP-UHFFFAOYSA-N
XLogP1.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butan-2-yl-5-oxopyrrolidine-3-carboxylic acid
CID 4777950
1-(1-carboxybutan-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690197
1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690219
3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid
CID 168695626
1-[(2S)-3-chlorobutan-2-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 147481828
1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 112551738
1-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 119355319
1-butan-2-yl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 113182159
2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 119349166
2-[[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid
CID 65220584
1-[1-(4-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690179
3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pentanoic acid
CID 168695710

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpentan-3-yl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-methylpentan-3-yl)-5-oxopyrrolidine-3-carboxylic acid (CID 61469101) is 1-(2-methylpentan-3-yl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methylpentan-3-yl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methylpentan-3-yl)-5-oxopyrrolidine-3-carboxylic acid is CCC(C(C)C)N1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-(2-methylpentan-3-yl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is PASBMCPIGMOEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-9(7(2)3)12-6-8(11(14)15)5-10(12)13/h7-9H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 1-(2-methylpentan-3-yl)-5-oxopyrrolidine-3-carboxylic acid?
1-(2-methylpentan-3-yl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpentan-3-yl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 61469101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).