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

C13H24N2O3 — CID 55164380

IUPAC2-[butan-2-yl-(3-ethylpyrrolidine-3-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)C1(CC)CCNC1
InChIInChI=1S/C13H24N2O3/c1-4-10(3)15(8-11(16)17)12(18)13(5-2)6-7-14-9-13/h10,14H,4-9H2,1-3H3,(H,16,17)
InChIKeyDDJJEUDYAMESBX-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.09
Rot. Bonds6

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

2-[butan-2-yl-(3-ethylpyrrolidine-3-carbonyl)amino]acetic acid (PubChem CID 55164380) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[butan-2-yl-(3-ethylpyrrolidine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(3-ethylpyrrolidine-3-carbonyl)amino]acetic acid
PubChem CID55164380
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[butan-2-yl-(3-ethylpyrrolidine-3-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)C1(CC)CCNC1
InChIInChI=1S/C13H24N2O3/c1-4-10(3)15(8-11(16)17)12(18)13(5-2)6-7-14-9-13/h10,14H,4-9H2,1-3H3,(H,16,17)
InChIKeyDDJJEUDYAMESBX-UHFFFAOYSA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 63144055
methyl 2-[(3-ethylpyrrolidine-3-carbonyl)-propan-2-ylamino]acetate
CID 55164952
2-[cyclopentyl-(3-ethylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63141424
1-(3-ethylpyrrolidin-3-yl)-2-methylbutan-1-one
CID 116570206
3-ethyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide
CID 112659335
2-[(3-ethylpiperidine-3-carbonyl)-propylamino]acetic acid
CID 63135315
3-[cyclopropyl-(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 63141640
N,N-bis(cyanomethyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140597
ethyl 2-[(3-ethylpiperidine-3-carbonyl)-propan-2-ylamino]acetate
CID 63131353
3-ethyl-N-methyl-N-phenylpyrrolidine-3-carboxamide
CID 63140580
methyl 2-[(4-ethylpiperidine-4-carbonyl)-propan-2-ylamino]acetate
CID 63128303
N-(2-amino-2-oxoethyl)-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide
CID 63138504

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(3-ethylpyrrolidine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(3-ethylpyrrolidine-3-carbonyl)amino]acetic acid (CID 55164380) is 2-[butan-2-yl-(3-ethylpyrrolidine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(3-ethylpyrrolidine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(3-ethylpyrrolidine-3-carbonyl)amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)C1(CC)CCNC1.
What is the InChIKey of 2-[butan-2-yl-(3-ethylpyrrolidine-3-carbonyl)amino]acetic acid?
The InChIKey is DDJJEUDYAMESBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-10(3)15(8-11(16)17)12(18)13(5-2)6-7-14-9-13/h10,14H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[butan-2-yl-(3-ethylpyrrolidine-3-carbonyl)amino]acetic acid?
2-[butan-2-yl-(3-ethylpyrrolidine-3-carbonyl)amino]acetic acid has a molecular weight of 256.35 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-(3-ethylpyrrolidine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 55164380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).