2-[cyclopropyl(quinolin-3-ylmethyl)amino]acetic acid

C15H16N2O2 — CID 114203529

IUPAC2-[cyclopropyl(quinolin-3-ylmethyl)amino]acetic acid
SMILESO=C(O)CN(Cc1cnc2ccccc2c1)C1CC1
InChIInChI=1S/C15H16N2O2/c18-15(19)10-17(13-5-6-13)9-11-7-12-3-1-2-4-14(12)16-8-11/h1-4,7-8,13H,5-6,9-10H2,(H,18,19)
InChIKeyPCRMPSGWJXWPNJ-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.28
Rot. Bonds5

About 2-[cyclopropyl(quinolin-3-ylmethyl)amino]acetic acid

2-[cyclopropyl(quinolin-3-ylmethyl)amino]acetic acid (PubChem CID 114203529) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[cyclopropyl(quinolin-3-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(quinolin-3-ylmethyl)amino]acetic acid
PubChem CID114203529
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-[cyclopropyl(quinolin-3-ylmethyl)amino]acetic acid
SMILESO=C(O)CN(Cc1cnc2ccccc2c1)C1CC1
InChIInChI=1S/C15H16N2O2/c18-15(19)10-17(13-5-6-13)9-11-7-12-3-1-2-4-14(12)16-8-11/h1-4,7-8,13H,5-6,9-10H2,(H,18,19)
InChIKeyPCRMPSGWJXWPNJ-UHFFFAOYSA-N
XLogP2.28
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Indole-1-acetic acid
CID 90448
methyl (E)-3-(3-quinolinyl)-2-propenoate
CID 1491214
(2E)-3-(quinolin-3-yl)prop-2-enoic acid
CID 1472291
Methyl 2-quinolin-1-ium-1-ylacetate chloride
CID 16196807
2,5-Dimethyl-3-(4-quinolinyl)-1h-indole-1-acetic acid
CID 10065219
(2,5-Dimethyl-3-(8-methyl-4-quinolinyl)-1H-indol-1-yl)acetic acid
CID 10337564
Glycine, N-9-acridinyl-
CID 148741
4-(Quinolin-3-ylmethyl)piperidine-1-carboxylic acid
CID 24892821
[3-(Morpholine-4-carbothioyl)-indol-1-yl]-acetic acid
CID 713485
[3-(1-piperidinylcarbonothioyl)-1H-indol-1-yl]acetic acid
CID 951711
2-Quinolin-1-ium-1-ylacetamide iodide
CID 11957261
3-(1-Methyl-pyrrolidin-2-yl)-quinoline
CID 44376223

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(quinolin-3-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl(quinolin-3-ylmethyl)amino]acetic acid (CID 114203529) is 2-[cyclopropyl(quinolin-3-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl(quinolin-3-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl(quinolin-3-ylmethyl)amino]acetic acid is O=C(O)CN(Cc1cnc2ccccc2c1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(quinolin-3-ylmethyl)amino]acetic acid?
The InChIKey is PCRMPSGWJXWPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-15(19)10-17(13-5-6-13)9-11-7-12-3-1-2-4-14(12)16-8-11/h1-4,7-8,13H,5-6,9-10H2,(H,18,19).
What are the key properties of 2-[cyclopropyl(quinolin-3-ylmethyl)amino]acetic acid?
2-[cyclopropyl(quinolin-3-ylmethyl)amino]acetic acid has a molecular weight of 256.31 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(quinolin-3-ylmethyl)amino]acetic acid is sourced from PubChem (CID 114203529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).