3-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3-methylbutanoic acid

C14H20N2O4 — CID 64700693

IUPAC3-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)N(Cc1ccco1)C1CC1
InChIInChI=1S/C14H20N2O4/c1-14(2,8-12(17)18)15-13(19)16(10-5-6-10)9-11-4-3-7-20-11/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyLQNPSDINFGXGQW-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.21
Rot. Bonds6

About 3-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3-methylbutanoic acid

3-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3-methylbutanoic acid (PubChem CID 64700693) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3-methylbutanoic acid
PubChem CID64700693
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name3-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)N(Cc1ccco1)C1CC1
InChIInChI=1S/C14H20N2O4/c1-14(2,8-12(17)18)15-13(19)16(10-5-6-10)9-11-4-3-7-20-11/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyLQNPSDINFGXGQW-UHFFFAOYSA-N
XLogP2.21
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 103927859
2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 55003505
2-amino-N-cyclopropyl-3,3,3-trifluoro-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 79805488
N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966
3-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66031040
N-(furan-2-ylmethyl)-2,2-dimethyl-N-(oxan-4-yl)propanamide
CID 121131278
2-[[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]methyl]pentanoic acid
CID 65222818
4-[cyclopropyl(furan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782822
N-cyclopentyl-N-(furan-2-ylmethyl)-2-methoxy-2-methylpropanamide
CID 103028787
3-[cyclopropyl(furan-2-ylmethyl)amino]pentanoic acid
CID 63074216
2-carbamothioyl-N-cyclopropyl-N-(furan-2-ylmethyl)-2-methylbutanamide
CID 114292137
N-cyclopropyl-N-(furan-2-ylmethyl)-3-sulfanylpropanamide
CID 107026655

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3-methylbutanoic acid?
The IUPAC name of 3-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3-methylbutanoic acid (CID 64700693) is 3-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 3-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 3-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3-methylbutanoic acid is CC(C)(CC(=O)O)NC(=O)N(Cc1ccco1)C1CC1.
What is the InChIKey of 3-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3-methylbutanoic acid?
The InChIKey is LQNPSDINFGXGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-14(2,8-12(17)18)15-13(19)16(10-5-6-10)9-11-4-3-7-20-11/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 3-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3-methylbutanoic acid?
3-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3-methylbutanoic acid has a molecular weight of 280.32 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 64700693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).