methyl 3-(quinolin-2-ylamino)propanoate

C13H14N2O2 — CID 60632060

IUPACmethyl 3-(quinolin-2-ylamino)propanoate
SMILESCOC(=O)CCNc1ccc2ccccc2n1
InChIInChI=1S/C13H14N2O2/c1-17-13(16)8-9-14-12-7-6-10-4-2-3-5-11(10)15-12/h2-7H,8-9H2,1H3,(H,14,15)
InChIKeyLNEAGSQXBMYVEM-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.21
Rot. Bonds4

About methyl 3-(quinolin-2-ylamino)propanoate

methyl 3-(quinolin-2-ylamino)propanoate (PubChem CID 60632060) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is methyl 3-(quinolin-2-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(quinolin-2-ylamino)propanoate
PubChem CID60632060
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Namemethyl 3-(quinolin-2-ylamino)propanoate
SMILESCOC(=O)CCNc1ccc2ccccc2n1
InChIInChI=1S/C13H14N2O2/c1-17-13(16)8-9-14-12-7-6-10-4-2-3-5-11(10)15-12/h2-7H,8-9H2,1H3,(H,14,15)
InChIKeyLNEAGSQXBMYVEM-UHFFFAOYSA-N
XLogP2.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-3-(quinolin-2-ylamino)propanamide
CID 61065980
methyl 3-(1,2,4-benzotriazin-3-ylamino)propanoate
CID 103204118
3-(quinolin-2-ylamino)propan-1-ol
CID 581988
methyl 3-(1,3-benzoxazol-2-ylamino)propanoate
CID 47277708
methyl 3-[(6-ethoxy-2-pyridinyl)amino]propanoate
CID 63591109
N-dodecylquinolin-2-amine
CID 160510159
1-N-quinolin-2-ylbutane-1,3-diamine
CID 63251635
N',N'-diethyl-N-quinolin-2-ylethane-1,2-diamine
CID 29034391
N-ethyl-2-(quinolin-2-ylamino)acetamide
CID 43398620
2,2-dimethyl-3-(quinolin-2-ylamino)propanamide
CID 113224831
methyl 3-[(5-amino-6-ethoxy-2-pyridinyl)amino]propanoate
CID 61295169
N-(2-phenylethyl)quinolin-2-amine
CID 29300407

Frequently Asked Questions

What is the IUPAC name of methyl 3-(quinolin-2-ylamino)propanoate?
The IUPAC name of methyl 3-(quinolin-2-ylamino)propanoate (CID 60632060) is methyl 3-(quinolin-2-ylamino)propanoate.
What is the SMILES notation for methyl 3-(quinolin-2-ylamino)propanoate?
The canonical SMILES for methyl 3-(quinolin-2-ylamino)propanoate is COC(=O)CCNc1ccc2ccccc2n1.
What is the InChIKey of methyl 3-(quinolin-2-ylamino)propanoate?
The InChIKey is LNEAGSQXBMYVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-17-13(16)8-9-14-12-7-6-10-4-2-3-5-11(10)15-12/h2-7H,8-9H2,1H3,(H,14,15).
What are the key properties of methyl 3-(quinolin-2-ylamino)propanoate?
methyl 3-(quinolin-2-ylamino)propanoate has a molecular weight of 230.27 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(quinolin-2-ylamino)propanoate is sourced from PubChem (CID 60632060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).