ethyl 3-[(6-methoxy-3-pyridinyl)carbamoylamino]propanoate

C12H17N3O4 — CID 3247497

IUPACethyl 3-[(6-methoxy-3-pyridinyl)carbamoylamino]propanoate
SMILESCCOC(=O)CCNC(=O)Nc1ccc(OC)nc1
InChIInChI=1S/C12H17N3O4/c1-3-19-11(16)6-7-13-12(17)15-9-4-5-10(18-2)14-8-9/h4-5,8H,3,6-7H2,1-2H3,(H2,13,15,17)
InChIKeyTUPWMQPKCWWILN-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.16
Rot. Bonds6

About ethyl 3-[(6-methoxy-3-pyridinyl)carbamoylamino]propanoate

ethyl 3-[(6-methoxy-3-pyridinyl)carbamoylamino]propanoate (PubChem CID 3247497) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is ethyl 3-[(6-methoxy-3-pyridinyl)carbamoylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(6-methoxy-3-pyridinyl)carbamoylamino]propanoate
PubChem CID3247497
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Nameethyl 3-[(6-methoxy-3-pyridinyl)carbamoylamino]propanoate
SMILESCCOC(=O)CCNC(=O)Nc1ccc(OC)nc1
InChIInChI=1S/C12H17N3O4/c1-3-19-11(16)6-7-13-12(17)15-9-4-5-10(18-2)14-8-9/h4-5,8H,3,6-7H2,1-2H3,(H2,13,15,17)
InChIKeyTUPWMQPKCWWILN-UHFFFAOYSA-N
XLogP1.16
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetate
CID 43385059
1-(2-hydroxyethyl)-3-(6-methoxy-3-pyridinyl)urea
CID 47237458
ethyl 3-[(6-methoxy-3-pyridinyl)methylamino]propanoate
CID 62989927
3-acetamido-N-(6-methoxy-3-pyridinyl)propanamide
CID 47096905
2-chloro-N-(6-methoxy-3-pyridinyl)acetamide
CID 2561820
N-tert-butyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetamide
CID 47139507
1-(6-methoxy-3-pyridinyl)-3-propylthiourea
CID 42992989
1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 94162627
(2S)-2-amino-N-(6-methoxy-3-pyridinyl)butanamide
CID 79025042
3-(2,5-dimethylpyrrol-1-yl)-N-(6-methoxy-3-pyridinyl)propanamide
CID 110204854
1-[(2S)-2-hydroxy-2-phenylethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 94028409
1-[[(6-methoxy-3-pyridinyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433896

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(6-methoxy-3-pyridinyl)carbamoylamino]propanoate?
The IUPAC name of ethyl 3-[(6-methoxy-3-pyridinyl)carbamoylamino]propanoate (CID 3247497) is ethyl 3-[(6-methoxy-3-pyridinyl)carbamoylamino]propanoate.
What is the SMILES notation for ethyl 3-[(6-methoxy-3-pyridinyl)carbamoylamino]propanoate?
The canonical SMILES for ethyl 3-[(6-methoxy-3-pyridinyl)carbamoylamino]propanoate is CCOC(=O)CCNC(=O)Nc1ccc(OC)nc1.
What is the InChIKey of ethyl 3-[(6-methoxy-3-pyridinyl)carbamoylamino]propanoate?
The InChIKey is TUPWMQPKCWWILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-3-19-11(16)6-7-13-12(17)15-9-4-5-10(18-2)14-8-9/h4-5,8H,3,6-7H2,1-2H3,(H2,13,15,17).
What are the key properties of ethyl 3-[(6-methoxy-3-pyridinyl)carbamoylamino]propanoate?
ethyl 3-[(6-methoxy-3-pyridinyl)carbamoylamino]propanoate has a molecular weight of 267.28 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(6-methoxy-3-pyridinyl)carbamoylamino]propanoate is sourced from PubChem (CID 3247497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).