2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid

C10H18N2O3 — CID 63142548

IUPAC2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)C1(C)CCNC1
InChIInChI=1S/C10H18N2O3/c1-3-12(6-8(13)14)9(15)10(2)4-5-11-7-10/h11H,3-7H2,1-2H3,(H,13,14)
InChIKeyIXCZWLVXVGYEFP-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.08
Rot. Bonds4

About 2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid

2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid (PubChem CID 63142548) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid
PubChem CID63142548
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)C1(C)CCNC1
InChIInChI=1S/C10H18N2O3/c1-3-12(6-8(13)14)9(15)10(2)4-5-11-7-10/h11H,3-7H2,1-2H3,(H,13,14)
InChIKeyIXCZWLVXVGYEFP-UHFFFAOYSA-N
XLogP-0.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-methylpyrrolidine-3-carboxamide
CID 63140406
N-ethyl-N-(2-hydroxyethyl)-3-methylpyrrolidine-3-carboxamide
CID 63143706
N-ethyl-3-methyl-N-prop-2-enylpyrrolidine-3-carboxamide
CID 81489802
3-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid
CID 63142000
N-ethyl-4-methyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide
CID 63121302
N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-4-methylpiperidine-4-carboxamide
CID 63121817
2-[ethyl-(2-methylpiperidine-2-carbonyl)amino]acetic acid
CID 104596700
methyl 2-[(3-methylpyrrolidine-3-carbonyl)-propylamino]acetate
CID 63143757
2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid
CID 55164584
2-[cyclopentyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63141423
N-(cyclopropylmethyl)-3-methyl-N-propylpyrrolidine-3-carboxamide
CID 63138956
2-(N-(3-methylpyrrolidine-3-carbonyl)anilino)acetic acid
CID 63141819

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid (CID 63142548) is 2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid is CCN(CC(=O)O)C(=O)C1(C)CCNC1.
What is the InChIKey of 2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid?
The InChIKey is IXCZWLVXVGYEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-3-12(6-8(13)14)9(15)10(2)4-5-11-7-10/h11H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid?
2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid has a molecular weight of 214.26 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 63142548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).