2-[[furan-2-ylmethyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid

C12H18N2O4 — CID 61198284

IUPAC2-[[furan-2-ylmethyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)N(C)Cc1ccco1
InChIInChI=1S/C12H18N2O4/c1-9(2)14(8-11(15)16)12(17)13(3)7-10-5-4-6-18-10/h4-6,9H,7-8H2,1-3H3,(H,15,16)
InChIKeyWGKVTJHWNQVYLZ-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.63
Rot. Bonds5

About 2-[[furan-2-ylmethyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid

2-[[furan-2-ylmethyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid (PubChem CID 61198284) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[[furan-2-ylmethyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[furan-2-ylmethyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid
PubChem CID61198284
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-[[furan-2-ylmethyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)N(C)Cc1ccco1
InChIInChI=1S/C12H18N2O4/c1-9(2)14(8-11(15)16)12(17)13(3)7-10-5-4-6-18-10/h4-6,9H,7-8H2,1-3H3,(H,15,16)
InChIKeyWGKVTJHWNQVYLZ-UHFFFAOYSA-N
XLogP1.63
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-2-[3-hydroxypropyl(propan-2-yl)amino]-N-methylacetamide
CID 62022579
2-[[furan-2-ylmethyl(methyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79270355
5-[furan-2-ylmethyl(methyl)amino]-3-methyl-5-oxopentanoic acid
CID 62966065
N-(furan-2-ylmethyl)-N,3-dimethylbutanamide
CID 58845598
(2R)-2-chloro-N-(furan-2-ylmethyl)-N-methylpropanamide
CID 42554709
2-[dimethylcarbamoyl(propan-2-yl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 42772862
(E)-4-[furan-2-ylmethyl(methyl)amino]-4-oxobut-2-enoic acid
CID 39242195
(Z)-4-[furan-2-ylmethyl(methyl)amino]-4-oxobut-2-enoic acid
CID 91989672
4-amino-N-(furan-2-ylmethyl)-N-methylpentanamide;hydrochloride
CID 120566075
2-[[(3-chlorophenyl)methyl-methylcarbamoyl]-propan-2-ylamino]acetic acid
CID 61417134
3-amino-N-(furan-2-ylmethyl)-N-methyl-2-phenylpropanamide
CID 62878878
methyl N-(furan-2-ylmethyl)-N-methylcarbamate
CID 2755161

Frequently Asked Questions

What is the IUPAC name of 2-[[furan-2-ylmethyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[furan-2-ylmethyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid (CID 61198284) is 2-[[furan-2-ylmethyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[furan-2-ylmethyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[furan-2-ylmethyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)N(C)Cc1ccco1.
What is the InChIKey of 2-[[furan-2-ylmethyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid?
The InChIKey is WGKVTJHWNQVYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-9(2)14(8-11(15)16)12(17)13(3)7-10-5-4-6-18-10/h4-6,9H,7-8H2,1-3H3,(H,15,16).
What are the key properties of 2-[[furan-2-ylmethyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid?
2-[[furan-2-ylmethyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid has a molecular weight of 254.29 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[furan-2-ylmethyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 61198284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).