4-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid

C15H28N2O4 — CID 81037703

IUPAC4-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC(C)OCCN(C)C(=O)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H28N2O4/c1-11(2)21-9-8-17(3)15(20)16-10-12-4-6-13(7-5-12)14(18)19/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyGBMRPPIBRSOJFH-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.94
Rot. Bonds7

About 4-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid

4-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 81037703) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID81037703
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name4-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC(C)OCCN(C)C(=O)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H28N2O4/c1-11(2)21-9-8-17(3)15(20)16-10-12-4-6-13(7-5-12)14(18)19/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyGBMRPPIBRSOJFH-UHFFFAOYSA-N
XLogP1.94
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79526469
4-[(2-propan-2-yloxyethylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532230
3-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)urea
CID 115698202
2-[cyclopropylmethylcarbamoyl(methyl)amino]acetic acid
CID 43135716
4-[[[cyclohexyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79524949
3-amino-1-methyl-1-(2-propan-2-yloxyethyl)urea
CID 81062243
(2S)-2-hydroxy-4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
CID 107840583
4-[[[2-methyl-1-(2-methylpropoxy)propoxy]carbonylamino]methyl]cyclohexane-1-carboxylic acid
CID 174548549
4-[[(4-amino-2-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 80545198
4-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 102865464
4-[[(2-amino-3-methoxypropanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 81101967
4,4-dimethyl-2-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]pentanoic acid
CID 107474565

Frequently Asked Questions

What is the IUPAC name of 4-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 81037703) is 4-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid is CC(C)OCCN(C)C(=O)NCC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is GBMRPPIBRSOJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-11(2)21-9-8-17(3)15(20)16-10-12-4-6-13(7-5-12)14(18)19/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 4-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid?
4-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 300.40 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 81037703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).