2-[[[ethyl(2-methylbutyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid

C15H28N2O3 — CID 79470086

IUPAC2-[[[ethyl(2-methylbutyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESCCC(C)CN(CC)C(=O)NCC1CCCC1C(=O)O
InChIInChI=1S/C15H28N2O3/c1-4-11(3)10-17(5-2)15(20)16-9-12-7-6-8-13(12)14(18)19/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyRFSZGWHJNGPYJM-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.56
Rot. Bonds7

About 2-[[[ethyl(2-methylbutyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid

2-[[[ethyl(2-methylbutyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 79470086) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[[[ethyl(2-methylbutyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[[ethyl(2-methylbutyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID79470086
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[[[ethyl(2-methylbutyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESCCC(C)CN(CC)C(=O)NCC1CCCC1C(=O)O
InChIInChI=1S/C15H28N2O3/c1-4-11(3)10-17(5-2)15(20)16-9-12-7-6-8-13(12)14(18)19/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyRFSZGWHJNGPYJM-UHFFFAOYSA-N
XLogP2.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 113426139
2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 82951994
2-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79203111
2-[[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 66477997
trans-(1R,2S)-2-(formamidomethyl)cyclopentane-1-carboxylic acid
CID 130649468
2-[methyl(2-methylbutyl)amino]cyclohexane-1-carboxylic acid
CID 63067749
3-cyclopropyl-3-[[ethyl(2-methylbutyl)carbamoyl]amino]propanoic acid
CID 82002983
CID 164549432
CID 164549432
3-[[methyl(2-methylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63044097
3-[[ethyl(2-ethylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63043366
(2S)-2-ethylcyclopentane-1-carboxylic acid
CID 59114270
2-[[(2,2-dimethylcyclopropanecarbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 107000450

Frequently Asked Questions

What is the IUPAC name of 2-[[[ethyl(2-methylbutyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[[ethyl(2-methylbutyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid (CID 79470086) is 2-[[[ethyl(2-methylbutyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[[ethyl(2-methylbutyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[[ethyl(2-methylbutyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid is CCC(C)CN(CC)C(=O)NCC1CCCC1C(=O)O.
What is the InChIKey of 2-[[[ethyl(2-methylbutyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is RFSZGWHJNGPYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-11(3)10-17(5-2)15(20)16-9-12-7-6-8-13(12)14(18)19/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 2-[[[ethyl(2-methylbutyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid?
2-[[[ethyl(2-methylbutyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[ethyl(2-methylbutyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79470086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).