2-[cyclopropylmethyl-[furan-3-ylmethyl(methyl)carbamoyl]amino]acetic acid

C13H18N2O4 — CID 61422874

IUPAC2-[cyclopropylmethyl-[furan-3-ylmethyl(methyl)carbamoyl]amino]acetic acid
SMILESCN(Cc1ccoc1)C(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C13H18N2O4/c1-14(6-11-4-5-19-9-11)13(18)15(8-12(16)17)7-10-2-3-10/h4-5,9-10H,2-3,6-8H2,1H3,(H,16,17)
InChIKeyQVKSNQJQFOYJGV-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.63
Rot. Bonds6

About 2-[cyclopropylmethyl-[furan-3-ylmethyl(methyl)carbamoyl]amino]acetic acid

2-[cyclopropylmethyl-[furan-3-ylmethyl(methyl)carbamoyl]amino]acetic acid (PubChem CID 61422874) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[furan-3-ylmethyl(methyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[furan-3-ylmethyl(methyl)carbamoyl]amino]acetic acid
PubChem CID61422874
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[cyclopropylmethyl-[furan-3-ylmethyl(methyl)carbamoyl]amino]acetic acid
SMILESCN(Cc1ccoc1)C(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C13H18N2O4/c1-14(6-11-4-5-19-9-11)13(18)15(8-12(16)17)7-10-2-3-10/h4-5,9-10H,2-3,6-8H2,1H3,(H,16,17)
InChIKeyQVKSNQJQFOYJGV-UHFFFAOYSA-N
XLogP1.63
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropylmethyl-[(3-fluorophenyl)methyl-methylcarbamoyl]amino]acetic acid
CID 43656062
2-[cyclopropylmethyl(furan-3-ylmethyl)amino]ethanol
CID 115882339
2-[cyclopropylmethyl-[methyl(2-methylsulfanylethyl)carbamoyl]amino]acetic acid
CID 112662552
(2R)-2-amino-N-(furan-3-ylmethyl)-N-methylpropanamide
CID 78973579
2-[furan-3-ylmethyl(methyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390811
4-[furan-3-ylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498062
2-[[cyclopropylmethyl(methyl)carbamoyl]-prop-2-enylamino]acetic acid
CID 79276638
2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(furan-3-ylmethyl)-N-methylacetamide
CID 125179712
2-[carboxymethyl-[methyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid
CID 63645779
2-[(2-amino-2-oxoethyl)-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid
CID 107438105
2-cyclopropyl-3-[furan-3-ylmethyl(methyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63779506
(3R)-1-[furan-3-ylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120132

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[furan-3-ylmethyl(methyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[furan-3-ylmethyl(methyl)carbamoyl]amino]acetic acid (CID 61422874) is 2-[cyclopropylmethyl-[furan-3-ylmethyl(methyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[furan-3-ylmethyl(methyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[furan-3-ylmethyl(methyl)carbamoyl]amino]acetic acid is CN(Cc1ccoc1)C(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[furan-3-ylmethyl(methyl)carbamoyl]amino]acetic acid?
The InChIKey is QVKSNQJQFOYJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-14(6-11-4-5-19-9-11)13(18)15(8-12(16)17)7-10-2-3-10/h4-5,9-10H,2-3,6-8H2,1H3,(H,16,17).
What are the key properties of 2-[cyclopropylmethyl-[furan-3-ylmethyl(methyl)carbamoyl]amino]acetic acid?
2-[cyclopropylmethyl-[furan-3-ylmethyl(methyl)carbamoyl]amino]acetic acid has a molecular weight of 266.30 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[furan-3-ylmethyl(methyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 61422874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).