3-methyl-2-[[[methyl-(4-methylcyclohexyl)carbamoyl]amino]methyl]butanoic acid

C15H28N2O3 — CID 65223197

IUPAC3-methyl-2-[[[methyl-(4-methylcyclohexyl)carbamoyl]amino]methyl]butanoic acid
SMILESCC1CCC(N(C)C(=O)NCC(C(=O)O)C(C)C)CC1
InChIInChI=1S/C15H28N2O3/c1-10(2)13(14(18)19)9-16-15(20)17(4)12-7-5-11(3)6-8-12/h10-13H,5-9H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyKBSZFHXFCZDXPT-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.56
Rot. Bonds5

About 3-methyl-2-[[[methyl-(4-methylcyclohexyl)carbamoyl]amino]methyl]butanoic acid

3-methyl-2-[[[methyl-(4-methylcyclohexyl)carbamoyl]amino]methyl]butanoic acid (PubChem CID 65223197) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-methyl-2-[[[methyl-(4-methylcyclohexyl)carbamoyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[[methyl-(4-methylcyclohexyl)carbamoyl]amino]methyl]butanoic acid
PubChem CID65223197
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-methyl-2-[[[methyl-(4-methylcyclohexyl)carbamoyl]amino]methyl]butanoic acid
SMILESCC1CCC(N(C)C(=O)NCC(C(=O)O)C(C)C)CC1
InChIInChI=1S/C15H28N2O3/c1-10(2)13(14(18)19)9-16-15(20)17(4)12-7-5-11(3)6-8-12/h10-13H,5-9H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyKBSZFHXFCZDXPT-UHFFFAOYSA-N
XLogP2.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65223685
2-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 79004991
2-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65223235
3-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62669199
3-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-2-hydroxypropanoic acid
CID 66166749
3-methyl-2-[[(2-methylcyclopentanecarbonyl)amino]methyl]butanoic acid
CID 107175600
2-[[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]methyl]butanoic acid
CID 65223298
2-[[[ethyl(propyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65218574
3-methyl-2-[[(4-methylazepane-1-carbonyl)amino]methyl]butanoic acid
CID 65226860
3-[methyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]propanoic acid
CID 61439567
3-methyl-2-[[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]methyl]butanoic acid
CID 65220996
1-cyclopropyl-3-(2-hydroxyethyl)-1-methylurea
CID 131224318

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[[methyl-(4-methylcyclohexyl)carbamoyl]amino]methyl]butanoic acid?
The IUPAC name of 3-methyl-2-[[[methyl-(4-methylcyclohexyl)carbamoyl]amino]methyl]butanoic acid (CID 65223197) is 3-methyl-2-[[[methyl-(4-methylcyclohexyl)carbamoyl]amino]methyl]butanoic acid.
What is the SMILES notation for 3-methyl-2-[[[methyl-(4-methylcyclohexyl)carbamoyl]amino]methyl]butanoic acid?
The canonical SMILES for 3-methyl-2-[[[methyl-(4-methylcyclohexyl)carbamoyl]amino]methyl]butanoic acid is CC1CCC(N(C)C(=O)NCC(C(=O)O)C(C)C)CC1.
What is the InChIKey of 3-methyl-2-[[[methyl-(4-methylcyclohexyl)carbamoyl]amino]methyl]butanoic acid?
The InChIKey is KBSZFHXFCZDXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-10(2)13(14(18)19)9-16-15(20)17(4)12-7-5-11(3)6-8-12/h10-13H,5-9H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 3-methyl-2-[[[methyl-(4-methylcyclohexyl)carbamoyl]amino]methyl]butanoic acid?
3-methyl-2-[[[methyl-(4-methylcyclohexyl)carbamoyl]amino]methyl]butanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[[methyl-(4-methylcyclohexyl)carbamoyl]amino]methyl]butanoic acid is sourced from PubChem (CID 65223197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).