1-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid

C16H28N2O3 — CID 115434207

IUPAC1-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESCC(C)CCN(C(=O)NCC1(C(=O)O)CCCC1)C1CC1
InChIInChI=1S/C16H28N2O3/c1-12(2)7-10-18(13-5-6-13)15(21)17-11-16(14(19)20)8-3-4-9-16/h12-13H,3-11H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyWYYARTURLKKWFO-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.85
Rot. Bonds7

About 1-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid

1-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 115434207) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID115434207
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESCC(C)CCN(C(=O)NCC1(C(=O)O)CCCC1)C1CC1
InChIInChI=1S/C16H28N2O3/c1-12(2)7-10-18(13-5-6-13)15(21)17-11-16(14(19)20)8-3-4-9-16/h12-13H,3-11H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyWYYARTURLKKWFO-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

2-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64816738
2-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64817129
2-[[Propyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64817325
2-[[Propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64817327
2-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82762288
1-Methyl-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 82763119
2-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82764908
1-Methyl-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 82764909
1-Methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 82764910
1-Methyl-2-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 82765385
1-[(4,4,4-Trifluorobutan-2-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 105945230
1-Methyl-2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 106216344

Frequently Asked Questions

What is the IUPAC name of 1-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid (CID 115434207) is 1-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid is CC(C)CCN(C(=O)NCC1(C(=O)O)CCCC1)C1CC1.
What is the InChIKey of 1-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is WYYARTURLKKWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-12(2)7-10-18(13-5-6-13)15(21)17-11-16(14(19)20)8-3-4-9-16/h12-13H,3-11H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 1-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid?
1-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115434207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).