3-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid

C11H16N2O4 — CID 61424514

IUPAC3-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid
SMILESCc1occc1CN(C)C(=O)NCCC(=O)O
InChIInChI=1S/C11H16N2O4/c1-8-9(4-6-17-8)7-13(2)11(16)12-5-3-10(14)15/h4,6H,3,5,7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyMBGZRDWQXUFKPK-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.20
Rot. Bonds5

About 3-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid

3-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid (PubChem CID 61424514) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid
PubChem CID61424514
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name3-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid
SMILESCc1occc1CN(C)C(=O)NCCC(=O)O
InChIInChI=1S/C11H16N2O4/c1-8-9(4-6-17-8)7-13(2)11(16)12-5-3-10(14)15/h4,6H,3,5,7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyMBGZRDWQXUFKPK-UHFFFAOYSA-N
XLogP1.20
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]acetate
CID 47377436
3-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]-propan-2-ylamino]propanoic acid
CID 61424320
3-[[(3,4-dimethylphenyl)methyl-methylcarbamoyl]amino]propanoic acid
CID 122018759
3-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]propanoic acid
CID 61414586
3-hydroxy-2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid
CID 61423971
N-methyl-4-(methylamino)-N-[(2-methylfuran-3-yl)methyl]butanamide
CID 61426651
3-[methyl-(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 60989961
3-cyclopentyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea
CID 47385742
4-hydroxy-2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]butanoic acid
CID 61423925
1-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61424074
2-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-oxoethoxy]acetic acid
CID 61426198
3-[[(5-bromo-2-fluorophenyl)methyl-methylcarbamoyl]amino]propanoic acid
CID 122019134

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid (CID 61424514) is 3-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid is Cc1occc1CN(C)C(=O)NCCC(=O)O.
What is the InChIKey of 3-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid?
The InChIKey is MBGZRDWQXUFKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-8-9(4-6-17-8)7-13(2)11(16)12-5-3-10(14)15/h4,6H,3,5,7H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 3-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid?
3-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid has a molecular weight of 240.26 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid is sourced from PubChem (CID 61424514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).