2-[[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]methyl]pentanoic acid

C15H22N2O4 — CID 65222818

IUPAC2-[[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)N(Cc1ccco1)C1CC1)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-2-4-11(14(18)19)9-16-15(20)17(12-6-7-12)10-13-5-3-8-21-13/h3,5,8,11-12H,2,4,6-7,9-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyIUWQBAXXSKRLPE-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.45
Rot. Bonds8

About 2-[[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]methyl]pentanoic acid

2-[[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]methyl]pentanoic acid (PubChem CID 65222818) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]methyl]pentanoic acid
PubChem CID65222818
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)N(Cc1ccco1)C1CC1)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-2-4-11(14(18)19)9-16-15(20)17(12-6-7-12)10-13-5-3-8-21-13/h3,5,8,11-12H,2,4,6-7,9-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyIUWQBAXXSKRLPE-UHFFFAOYSA-N
XLogP2.45
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]pentanoic acid
CID 65223609
2-[(furan-2-ylmethylcarbamoylamino)methyl]pentanoic acid
CID 65218028
(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-[[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid
CID 65223201
1-cyclopentyl-1-(furan-2-ylmethyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 95151771
2-[[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]methyl]pentanoic acid
CID 65221185
N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966
3-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 64700693
2-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylbutanoic acid
CID 55003590
3-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66031040
1-cyclopropyl-3-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)urea
CID 51084236

Frequently Asked Questions

What is the IUPAC name of 2-[[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]methyl]pentanoic acid?
The IUPAC name of 2-[[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]methyl]pentanoic acid (CID 65222818) is 2-[[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]methyl]pentanoic acid is CCCC(CNC(=O)N(Cc1ccco1)C1CC1)C(=O)O.
What is the InChIKey of 2-[[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]methyl]pentanoic acid?
The InChIKey is IUWQBAXXSKRLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-2-4-11(14(18)19)9-16-15(20)17(12-6-7-12)10-13-5-3-8-21-13/h3,5,8,11-12H,2,4,6-7,9-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]methyl]pentanoic acid?
2-[[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]methyl]pentanoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 65222818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).