2-[butan-2-yl-(4-methylpyrrolidine-3-carbonyl)amino]acetic acid

C12H22N2O3 — CID 63716507

IUPAC2-[butan-2-yl-(4-methylpyrrolidine-3-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)C1CNCC1C
InChIInChI=1S/C12H22N2O3/c1-4-9(3)14(7-11(15)16)12(17)10-6-13-5-8(10)2/h8-10,13H,4-7H2,1-3H3,(H,15,16)
InChIKeyIQUPLTRSXSXROL-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.55
Rot. Bonds5

About 2-[butan-2-yl-(4-methylpyrrolidine-3-carbonyl)amino]acetic acid

2-[butan-2-yl-(4-methylpyrrolidine-3-carbonyl)amino]acetic acid (PubChem CID 63716507) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[butan-2-yl-(4-methylpyrrolidine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(4-methylpyrrolidine-3-carbonyl)amino]acetic acid
PubChem CID63716507
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[butan-2-yl-(4-methylpyrrolidine-3-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)C1CNCC1C
InChIInChI=1S/C12H22N2O3/c1-4-9(3)14(7-11(15)16)12(17)10-6-13-5-8(10)2/h8-10,13H,4-7H2,1-3H3,(H,15,16)
InChIKeyIQUPLTRSXSXROL-UHFFFAOYSA-N
XLogP0.55
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-butan-2-yl-4-methylpyrrolidine-3-carboxamide
CID 63714137
N-(2-amino-2-oxoethyl)-4-methyl-N-propan-2-ylpyrrolidine-3-carboxamide
CID 63714593
N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylpyrrolidine-3-carboxamide
CID 63715988
2-[butan-2-yl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid
CID 119955287
4-methyl-N,N-dipropylpyrrolidine-3-carboxamide
CID 63720792
(3R,4R)-N,N,4-trimethylpyrrolidine-3-carboxamide
CID 66936245
N-cyclopropyl-4-methyl-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 55230734
2-[butan-2-yl-(6-oxopiperidine-3-carbonyl)amino]acetic acid
CID 113318991
2-[butan-2-yl-(4-methoxypyrrolidine-2-carbonyl)amino]acetic acid
CID 61213080
N-(2-amino-2-oxoethyl)-N-ethyl-4-methylpyrrolidine-3-carboxamide
CID 103101983
(3S,4S)-4-methylpyrrolidine-3-carboxylic acid;hydrochloride
CID 122163647
2-[butan-2-yl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetic acid
CID 60828880

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(4-methylpyrrolidine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(4-methylpyrrolidine-3-carbonyl)amino]acetic acid (CID 63716507) is 2-[butan-2-yl-(4-methylpyrrolidine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(4-methylpyrrolidine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(4-methylpyrrolidine-3-carbonyl)amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)C1CNCC1C.
What is the InChIKey of 2-[butan-2-yl-(4-methylpyrrolidine-3-carbonyl)amino]acetic acid?
The InChIKey is IQUPLTRSXSXROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-9(3)14(7-11(15)16)12(17)10-6-13-5-8(10)2/h8-10,13H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 2-[butan-2-yl-(4-methylpyrrolidine-3-carbonyl)amino]acetic acid?
2-[butan-2-yl-(4-methylpyrrolidine-3-carbonyl)amino]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-(4-methylpyrrolidine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 63716507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).