3-[(2-aminoacetyl)amino]-3-quinolin-3-ylpropanoic acid

C14H15N3O3 — CID 70246115

IUPAC3-[(2-aminoacetyl)amino]-3-quinolin-3-ylpropanoic acid
SMILESNCC(=O)NC(CC(=O)O)c1cnc2ccccc2c1
InChIInChI=1S/C14H15N3O3/c15-7-13(18)17-12(6-14(19)20)10-5-9-3-1-2-4-11(9)16-8-10/h1-5,8,12H,6-7,15H2,(H,17,18)(H,19,20)
InChIKeyLICGEVJLIHEPSB-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.83
Rot. Bonds5

About 3-[(2-aminoacetyl)amino]-3-quinolin-3-ylpropanoic acid

3-[(2-aminoacetyl)amino]-3-quinolin-3-ylpropanoic acid (PubChem CID 70246115) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-[(2-aminoacetyl)amino]-3-quinolin-3-ylpropanoic acid.

Molecular Properties

Compound Name3-[(2-aminoacetyl)amino]-3-quinolin-3-ylpropanoic acid
PubChem CID70246115
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name3-[(2-aminoacetyl)amino]-3-quinolin-3-ylpropanoic acid
SMILESNCC(=O)NC(CC(=O)O)c1cnc2ccccc2c1
InChIInChI=1S/C14H15N3O3/c15-7-13(18)17-12(6-14(19)20)10-5-9-3-1-2-4-11(9)16-8-10/h1-5,8,12H,6-7,15H2,(H,17,18)(H,19,20)
InChIKeyLICGEVJLIHEPSB-UHFFFAOYSA-N
XLogP0.83
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-quinolin-3-ylpropanoic acid
CID 59681968
(2S)-3-[(2-aminoacetyl)amino]-2-quinolin-3-ylpropanoic acid;dihydrochloride
CID 70246118
3-[[(3E)-4-(3,4-dihydroxyphenyl)buta-1,3-dien-2-yl]amino]-3-quinolin-3-ylpropanoic acid
CID 89378013
ethyl (3S)-3-amino-3-quinolin-3-ylpropanoate
CID 34177500
3-[(2-aminoacetyl)amino]-3-(3,5-dichlorophenyl)propanoic acid
CID 59080868
(3R)-3-(phenylmethoxycarbonylamino)-3-quinolin-6-ylpropanoic acid
CID 103667779
(3-phenyl-1-quinolin-3-ylpropyl)hydrazine
CID 105205700
2-amino-2-quinolin-3-ylethanol;ethene
CID 142317274
2-quinolin-3-ylbutanamide
CID 154121490
1-quinolin-3-ylbutylhydrazine
CID 105202157
4-[(2-aminoacetyl)amino]-4-phenylbutanoic acid
CID 61161871
(3S)-3-quinolin-3-yl-3-[[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutanecarbonyl]amino]propanoic acid
CID 134514357

Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminoacetyl)amino]-3-quinolin-3-ylpropanoic acid?
The IUPAC name of 3-[(2-aminoacetyl)amino]-3-quinolin-3-ylpropanoic acid (CID 70246115) is 3-[(2-aminoacetyl)amino]-3-quinolin-3-ylpropanoic acid.
What is the SMILES notation for 3-[(2-aminoacetyl)amino]-3-quinolin-3-ylpropanoic acid?
The canonical SMILES for 3-[(2-aminoacetyl)amino]-3-quinolin-3-ylpropanoic acid is NCC(=O)NC(CC(=O)O)c1cnc2ccccc2c1.
What is the InChIKey of 3-[(2-aminoacetyl)amino]-3-quinolin-3-ylpropanoic acid?
The InChIKey is LICGEVJLIHEPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c15-7-13(18)17-12(6-14(19)20)10-5-9-3-1-2-4-11(9)16-8-10/h1-5,8,12H,6-7,15H2,(H,17,18)(H,19,20).
What are the key properties of 3-[(2-aminoacetyl)amino]-3-quinolin-3-ylpropanoic acid?
3-[(2-aminoacetyl)amino]-3-quinolin-3-ylpropanoic acid has a molecular weight of 273.29 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminoacetyl)amino]-3-quinolin-3-ylpropanoic acid is sourced from PubChem (CID 70246115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).