methyl (3R)-3-[(2-methoxy-3-pyridinyl)carbamoylamino]-3-thiophen-2-ylpropanoate

C15H17N3O4S — CID 94172468

IUPACmethyl (3R)-3-[(2-methoxy-3-pyridinyl)carbamoylamino]-3-thiophen-2-ylpropanoate
SMILESCOC(=O)C[C@@H](NC(=O)Nc1cccnc1OC)c1cccs1
InChIInChI=1S/C15H17N3O4S/c1-21-13(19)9-11(12-6-4-8-23-12)18-15(20)17-10-5-3-7-16-14(10)22-2/h3-8,11H,9H2,1-2H3,(H2,17,18,20)/t11-/m1/s1
InChIKeyNNSJVIIXIXLNMX-LLVKDONJSA-N
MW335.39 g/mol
LogP2.58
Rot. Bonds6

About methyl (3R)-3-[(2-methoxy-3-pyridinyl)carbamoylamino]-3-thiophen-2-ylpropanoate

methyl (3R)-3-[(2-methoxy-3-pyridinyl)carbamoylamino]-3-thiophen-2-ylpropanoate (PubChem CID 94172468) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is methyl (3R)-3-[(2-methoxy-3-pyridinyl)carbamoylamino]-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl (3R)-3-[(2-methoxy-3-pyridinyl)carbamoylamino]-3-thiophen-2-ylpropanoate
PubChem CID94172468
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Namemethyl (3R)-3-[(2-methoxy-3-pyridinyl)carbamoylamino]-3-thiophen-2-ylpropanoate
SMILESCOC(=O)C[C@@H](NC(=O)Nc1cccnc1OC)c1cccs1
InChIInChI=1S/C15H17N3O4S/c1-21-13(19)9-11(12-6-4-8-23-12)18-15(20)17-10-5-3-7-16-14(10)22-2/h3-8,11H,9H2,1-2H3,(H2,17,18,20)/t11-/m1/s1
InChIKeyNNSJVIIXIXLNMX-LLVKDONJSA-N
XLogP2.58
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(isoquinolin-5-ylcarbamoylamino)-3-thiophen-2-ylpropanoate
CID 51115119
methyl 3-(2-bromopropanoylamino)-3-thiophen-2-ylpropanoate
CID 107903839
methyl 3-(2-bromobutanoylamino)-3-thiophen-2-ylpropanoate
CID 62855580
(3S)-3-acetamido-N-[(2-methoxy-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide
CID 38535821
3-[(3-methoxy-3-oxo-1-thiophen-2-ylpropyl)amino]-2-methyl-3-oxopropanoic acid
CID 114897987
N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-2-methoxypyridine-3-carboxamide
CID 97235405
methyl 3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoylamino]-3-thiophen-2-ylpropanoate
CID 51116481
methyl 3-(2-methylsulfanylpropanoylamino)-3-thiophen-2-ylpropanoate
CID 47031380
methyl 3-[(3-chloro-2-methylpropanoyl)amino]-3-thiophen-2-ylpropanoate
CID 62728678
2-bromo-N-(2-methoxy-3-pyridinyl)butanamide
CID 62854131
1-(2-methoxy-3-pyridinyl)-3-(2-methylpropyl)urea
CID 47042582
methyl 3-(but-2-enoylamino)-3-thiophen-2-ylpropanoate
CID 112723868

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[(2-methoxy-3-pyridinyl)carbamoylamino]-3-thiophen-2-ylpropanoate?
The IUPAC name of methyl (3R)-3-[(2-methoxy-3-pyridinyl)carbamoylamino]-3-thiophen-2-ylpropanoate (CID 94172468) is methyl (3R)-3-[(2-methoxy-3-pyridinyl)carbamoylamino]-3-thiophen-2-ylpropanoate.
What is the SMILES notation for methyl (3R)-3-[(2-methoxy-3-pyridinyl)carbamoylamino]-3-thiophen-2-ylpropanoate?
The canonical SMILES for methyl (3R)-3-[(2-methoxy-3-pyridinyl)carbamoylamino]-3-thiophen-2-ylpropanoate is COC(=O)C[C@@H](NC(=O)Nc1cccnc1OC)c1cccs1.
What is the InChIKey of methyl (3R)-3-[(2-methoxy-3-pyridinyl)carbamoylamino]-3-thiophen-2-ylpropanoate?
The InChIKey is NNSJVIIXIXLNMX-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-21-13(19)9-11(12-6-4-8-23-12)18-15(20)17-10-5-3-7-16-14(10)22-2/h3-8,11H,9H2,1-2H3,(H2,17,18,20)/t11-/m1/s1.
What are the key properties of methyl (3R)-3-[(2-methoxy-3-pyridinyl)carbamoylamino]-3-thiophen-2-ylpropanoate?
methyl (3R)-3-[(2-methoxy-3-pyridinyl)carbamoylamino]-3-thiophen-2-ylpropanoate has a molecular weight of 335.39 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[(2-methoxy-3-pyridinyl)carbamoylamino]-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 94172468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).