1-[[[furan-3-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid

C12H16N2O4 — CID 115451347

IUPAC1-[[[furan-3-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESCN(Cc1ccoc1)C(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C12H16N2O4/c1-14(6-9-2-5-18-7-9)11(17)13-8-12(3-4-12)10(15)16/h2,5,7H,3-4,6,8H2,1H3,(H,13,17)(H,15,16)
InChIKeyIKWDKGGMPIVFSB-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.29
Rot. Bonds5

About 1-[[[furan-3-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid

1-[[[furan-3-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115451347) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-[[[furan-3-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[furan-3-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115451347
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name1-[[[furan-3-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESCN(Cc1ccoc1)C(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C12H16N2O4/c1-14(6-9-2-5-18-7-9)11(17)13-8-12(3-4-12)10(15)16/h2,5,7H,3-4,6,8H2,1H3,(H,13,17)(H,15,16)
InChIKeyIKWDKGGMPIVFSB-UHFFFAOYSA-N
XLogP1.29
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[[(4-fluorophenyl)methyl-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451335
1-(furan-3-ylmethyl)-3-hydroxy-1-methylurea
CID 54330793
(2S)-3-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 107838816
1-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115434026
2-[[[furan-3-ylmethyl(methyl)carbamoyl]amino]methyl]butanoic acid
CID 65223341
ethyl 2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]acetate
CID 47337990
4-[[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]oxane-4-carboxylic acid
CID 115440346
3-[[[furan-3-ylmethyl(methyl)carbamoyl]amino]methyl]benzoic acid
CID 61422425
2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-phenylacetic acid
CID 61422318
1-[[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115434442
2-[1-[2-[furan-3-ylmethyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61422945
1-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451070

Frequently Asked Questions

What is the IUPAC name of 1-[[[furan-3-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[[furan-3-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid (CID 115451347) is 1-[[[furan-3-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[[furan-3-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[[furan-3-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid is CN(Cc1ccoc1)C(=O)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[[[furan-3-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is IKWDKGGMPIVFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-14(6-9-2-5-18-7-9)11(17)13-8-12(3-4-12)10(15)16/h2,5,7H,3-4,6,8H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 1-[[[furan-3-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid?
1-[[[furan-3-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[furan-3-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115451347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).