2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]acetic acid

C12H22N2O4 — CID 64598633

IUPAC2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]acetic acid
SMILESCOCC1CCN(C(=O)N(CC(=O)O)C(C)C)C1
InChIInChI=1S/C12H22N2O4/c1-9(2)14(7-11(15)16)12(17)13-5-4-10(6-13)8-18-3/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKeyOQXRXQDQJSMGAM-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.87
Rot. Bonds5

About 2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]acetic acid

2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]acetic acid (PubChem CID 64598633) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]acetic acid
PubChem CID64598633
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]acetic acid
SMILESCOCC1CCN(C(=O)N(CC(=O)O)C(C)C)C1
InChIInChI=1S/C12H22N2O4/c1-9(2)14(7-11(15)16)12(17)13-5-4-10(6-13)8-18-3/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKeyOQXRXQDQJSMGAM-UHFFFAOYSA-N
XLogP0.87
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-methylamino]acetic acid
CID 64597214
3-[[3-(methoxymethyl)piperidine-1-carbonyl]-propan-2-ylamino]propanoic acid
CID 106587984
2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid
CID 102961835
2-[butan-2-yl-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]acetic acid
CID 112626820
N,N-diethyl-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 115642604
2-[[(3R)-1-acetylpyrrolidin-3-yl]methyl-propan-2-ylamino]acetic acid
CID 96553143
4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 129370989
2-[(4-cyclopropylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid
CID 61443277
3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 131747487
(2S)-2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 64597217
3-[1-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]piperidin-4-yl]propanoic acid
CID 62210644
2-[3,6-dihydro-2H-pyridine-1-carbonyl(propan-2-yl)amino]acetic acid
CID 114411684

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]acetic acid (CID 64598633) is 2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]acetic acid is COCC1CCN(C(=O)N(CC(=O)O)C(C)C)C1.
What is the InChIKey of 2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]acetic acid?
The InChIKey is OQXRXQDQJSMGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-9(2)14(7-11(15)16)12(17)13-5-4-10(6-13)8-18-3/h9-10H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]acetic acid?
2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]acetic acid has a molecular weight of 258.32 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 64598633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).