methyl 2-(furan-2-ylmethylcarbamoylamino)propanoate

C10H14N2O4 — CID 4265713

IUPACmethyl 2-(furan-2-ylmethylcarbamoylamino)propanoate
SMILESCOC(=O)C(C)NC(=O)NCc1ccco1
InChIInChI=1S/C10H14N2O4/c1-7(9(13)15-2)12-10(14)11-6-8-4-3-5-16-8/h3-5,7H,6H2,1-2H3,(H2,11,12,14)
InChIKeyAUPUZZVVHAVYGQ-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.64
Rot. Bonds4

About methyl 2-(furan-2-ylmethylcarbamoylamino)propanoate

methyl 2-(furan-2-ylmethylcarbamoylamino)propanoate (PubChem CID 4265713) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is methyl 2-(furan-2-ylmethylcarbamoylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(furan-2-ylmethylcarbamoylamino)propanoate
PubChem CID4265713
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Namemethyl 2-(furan-2-ylmethylcarbamoylamino)propanoate
SMILESCOC(=O)C(C)NC(=O)NCc1ccco1
InChIInChI=1S/C10H14N2O4/c1-7(9(13)15-2)12-10(14)11-6-8-4-3-5-16-8/h3-5,7H,6H2,1-2H3,(H2,11,12,14)
InChIKeyAUPUZZVVHAVYGQ-UHFFFAOYSA-N
XLogP0.64
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-ylmethylcarbamoylamino)propanoic acid
CID 4273789
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
N-(furan-2-ylmethyl)-2-(methoxyamino)propanamide
CID 60702583
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
1-(furan-2-ylmethyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea
CID 97185684
1-[(E)-2,3-dimethylbut-1-enyl]-3-(furan-2-ylmethyl)urea
CID 108914673
3-(furan-2-ylmethylcarbamoylamino)-2-methoxypropanoic acid
CID 106109550
2-(furan-2-ylmethylcarbamoylamino)pentanoic acid
CID 61188799
methyl N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 110351273
(2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 110348304
1-(furan-2-ylmethyl)-3-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]urea
CID 99823433
1-(furan-2-ylmethyl)-3-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]urea
CID 124596181

Frequently Asked Questions

What is the IUPAC name of methyl 2-(furan-2-ylmethylcarbamoylamino)propanoate?
The IUPAC name of methyl 2-(furan-2-ylmethylcarbamoylamino)propanoate (CID 4265713) is methyl 2-(furan-2-ylmethylcarbamoylamino)propanoate.
What is the SMILES notation for methyl 2-(furan-2-ylmethylcarbamoylamino)propanoate?
The canonical SMILES for methyl 2-(furan-2-ylmethylcarbamoylamino)propanoate is COC(=O)C(C)NC(=O)NCc1ccco1.
What is the InChIKey of methyl 2-(furan-2-ylmethylcarbamoylamino)propanoate?
The InChIKey is AUPUZZVVHAVYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-7(9(13)15-2)12-10(14)11-6-8-4-3-5-16-8/h3-5,7H,6H2,1-2H3,(H2,11,12,14).
What are the key properties of methyl 2-(furan-2-ylmethylcarbamoylamino)propanoate?
methyl 2-(furan-2-ylmethylcarbamoylamino)propanoate has a molecular weight of 226.23 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(furan-2-ylmethylcarbamoylamino)propanoate is sourced from PubChem (CID 4265713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).