3-[cyclopropyl-(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid

C13H22N2O3 — CID 63141640

IUPAC3-[cyclopropyl-(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid
SMILESCCC1(C(=O)N(CCC(=O)O)C2CC2)CCNC1
InChIInChI=1S/C13H22N2O3/c1-2-13(6-7-14-9-13)12(18)15(10-3-4-10)8-5-11(16)17/h10,14H,2-9H2,1H3,(H,16,17)
InChIKeyGVQKDGBEHCRQPN-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.84
Rot. Bonds6

About 3-[cyclopropyl-(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid

3-[cyclopropyl-(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid (PubChem CID 63141640) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[cyclopropyl-(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid
PubChem CID63141640
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-[cyclopropyl-(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid
SMILESCCC1(C(=O)N(CCC(=O)O)C2CC2)CCNC1
InChIInChI=1S/C13H22N2O3/c1-2-13(6-7-14-9-13)12(18)15(10-3-4-10)8-5-11(16)17/h10,14H,2-9H2,1H3,(H,16,17)
InChIKeyGVQKDGBEHCRQPN-UHFFFAOYSA-N
XLogP0.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl-(4-ethylpiperidine-4-carbonyl)amino]propanoic acid
CID 63128710
N-butyl-N-cyclopropyl-3-ethylpyrrolidine-3-carboxamide
CID 63143362
2-[cyclopentyl-(3-ethylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63141424
N-benzyl-N-cyclopropyl-3-ethylpyrrolidine-3-carboxamide
CID 63138591
N-cyclopropyl-N,4-diethylpiperidine-4-carboxamide
CID 63127607
N-butyl-N-cyclopropyl-3-ethylpiperidine-3-carboxamide
CID 63131459
N-cyclopropyl-4-ethyl-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 63128216
3-[tert-butyl-(4-ethylpiperidine-4-carbonyl)amino]propanoic acid
CID 63128579
N-(1,1-dioxothiolan-3-yl)-3-ethyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 63139877
3-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 114948885
N-(cyclobutylmethyl)-3-ethyl-N-methylpyrrolidine-3-carboxamide
CID 63142224
2-[butan-2-yl-(3-ethylpyrrolidine-3-carbonyl)amino]acetic acid
CID 55164380

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid (CID 63141640) is 3-[cyclopropyl-(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid is CCC1(C(=O)N(CCC(=O)O)C2CC2)CCNC1.
What is the InChIKey of 3-[cyclopropyl-(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid?
The InChIKey is GVQKDGBEHCRQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-13(6-7-14-9-13)12(18)15(10-3-4-10)8-5-11(16)17/h10,14H,2-9H2,1H3,(H,16,17).
What are the key properties of 3-[cyclopropyl-(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid?
3-[cyclopropyl-(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid has a molecular weight of 254.33 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 63141640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).