1-(1-carboxyethyl)pyrrolidine-2-carboxylic acid

C8H13NO4 — CID 110185971

IUPAC1-(1-carboxyethyl)pyrrolidine-2-carboxylic acid
SMILESCC(C(=O)O)N1CCCC1C(=O)O
InChIInChI=1S/C8H13NO4/c1-5(7(10)11)9-4-2-3-6(9)8(12)13/h5-6H,2-4H2,1H3,(H,10,11)(H,12,13)
InChIKeyAXZGHPKOQKIIBM-UHFFFAOYSA-N
MW187.19 g/mol
LogP0.01
Rot. Bonds3

About 1-(1-carboxyethyl)pyrrolidine-2-carboxylic acid

1-(1-carboxyethyl)pyrrolidine-2-carboxylic acid (PubChem CID 110185971) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 1-(1-carboxyethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-carboxyethyl)pyrrolidine-2-carboxylic acid
PubChem CID110185971
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name1-(1-carboxyethyl)pyrrolidine-2-carboxylic acid
SMILESCC(C(=O)O)N1CCCC1C(=O)O
InChIInChI=1S/C8H13NO4/c1-5(7(10)11)9-4-2-3-6(9)8(12)13/h5-6H,2-4H2,1H3,(H,10,11)(H,12,13)
InChIKeyAXZGHPKOQKIIBM-UHFFFAOYSA-N
XLogP0.01
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-amino-1-oxopropan-2-yl)azepane-2-carboxylic acid
CID 64564332
1-(dihydroxymethyl)pyrrolidine-2-carboxylic acid
CID 22996998
1-(1-methoxy-1-oxopropan-2-yl)piperidine-2-carboxylic acid
CID 82223955
ethane;1-propan-2-ylpiperidine-2-carboxylic acid
CID 144742898
2-[(2S)-2-(difluoromethyl)pyrrolidin-1-yl]propanoic acid
CID 130704061
1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid
CID 43440976
1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid
CID 43440972
1-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 3972842
1-octan-2-ylpyrrolidine-2-carboxylic acid
CID 65056476
1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 4203254
1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 59945997
2-(2-ethylpiperidin-1-yl)propanoic acid
CID 20985444

Frequently Asked Questions

What is the IUPAC name of 1-(1-carboxyethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1-carboxyethyl)pyrrolidine-2-carboxylic acid (CID 110185971) is 1-(1-carboxyethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-carboxyethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1-carboxyethyl)pyrrolidine-2-carboxylic acid is CC(C(=O)O)N1CCCC1C(=O)O.
What is the InChIKey of 1-(1-carboxyethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is AXZGHPKOQKIIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-5(7(10)11)9-4-2-3-6(9)8(12)13/h5-6H,2-4H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 1-(1-carboxyethyl)pyrrolidine-2-carboxylic acid?
1-(1-carboxyethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 187.19 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-carboxyethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 110185971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).