2,2-dimethyl-3-[(5-oxopyrrolidin-3-yl)amino]propanoic acid

C9H16N2O3 — CID 106189408

IUPAC2,2-dimethyl-3-[(5-oxopyrrolidin-3-yl)amino]propanoic acid
SMILESCC(C)(CNC1CNC(=O)C1)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-9(2,8(13)14)5-11-6-3-7(12)10-4-6/h6,11H,3-5H2,1-2H3,(H,10,12)(H,13,14)
InChIKeyCYCODCGJOWQBBD-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.42
Rot. Bonds4

About 2,2-dimethyl-3-[(5-oxopyrrolidin-3-yl)amino]propanoic acid

2,2-dimethyl-3-[(5-oxopyrrolidin-3-yl)amino]propanoic acid (PubChem CID 106189408) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(5-oxopyrrolidin-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[(5-oxopyrrolidin-3-yl)amino]propanoic acid
PubChem CID106189408
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2,2-dimethyl-3-[(5-oxopyrrolidin-3-yl)amino]propanoic acid
SMILESCC(C)(CNC1CNC(=O)C1)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-9(2,8(13)14)5-11-6-3-7(12)10-4-6/h6,11H,3-5H2,1-2H3,(H,10,12)(H,13,14)
InChIKeyCYCODCGJOWQBBD-UHFFFAOYSA-N
XLogP-0.42
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(tert-butylamino)ethylamino]pyrrolidin-2-one
CID 106182603
2-[ethyl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 106191674
(4R)-4-(2-methylpropylamino)pyrrolidin-2-one
CID 139457725
4-(prop-2-ynylamino)pyrrolidin-2-one
CID 106184297
tert-butyl N-[(3R)-5-oxopyrrolidin-3-yl]carbamate
CID 71301758
2-[tert-butyl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic acid
CID 106191614
4-(2-cyclopropylethylamino)pyrrolidin-2-one
CID 106189081
2-[(5-oxopyrrolidin-3-yl)amino]-N-propylacetamide
CID 106189314
5-[(2-hydroxy-2-methylbutyl)amino]piperidin-2-one
CID 114493142
4-[(4-tert-butylcyclohexyl)methylamino]pyrrolidin-2-one
CID 104665410
ethyl 3-hydroxy-4-[(5-oxopyrrolidin-3-yl)amino]butanoate
CID 106190615
3-(tert-butylamino)-N-(5-oxopyrrolidin-3-yl)propanamide
CID 106187499

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(5-oxopyrrolidin-3-yl)amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[(5-oxopyrrolidin-3-yl)amino]propanoic acid (CID 106189408) is 2,2-dimethyl-3-[(5-oxopyrrolidin-3-yl)amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[(5-oxopyrrolidin-3-yl)amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[(5-oxopyrrolidin-3-yl)amino]propanoic acid is CC(C)(CNC1CNC(=O)C1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[(5-oxopyrrolidin-3-yl)amino]propanoic acid?
The InChIKey is CYCODCGJOWQBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-9(2,8(13)14)5-11-6-3-7(12)10-4-6/h6,11H,3-5H2,1-2H3,(H,10,12)(H,13,14).
What are the key properties of 2,2-dimethyl-3-[(5-oxopyrrolidin-3-yl)amino]propanoic acid?
2,2-dimethyl-3-[(5-oxopyrrolidin-3-yl)amino]propanoic acid has a molecular weight of 200.24 g/mol, XLogP of -0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(5-oxopyrrolidin-3-yl)amino]propanoic acid is sourced from PubChem (CID 106189408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).