2-cyclohexyl-2-[[ethyl(2-methylpropyl)carbamoyl]amino]acetic acid

C15H28N2O3 — CID 61197769

IUPAC2-cyclohexyl-2-[[ethyl(2-methylpropyl)carbamoyl]amino]acetic acid
SMILESCCN(CC(C)C)C(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C15H28N2O3/c1-4-17(10-11(2)3)15(20)16-13(14(18)19)12-8-6-5-7-9-12/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyOURALMJQHOUZDG-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.71
Rot. Bonds6

About 2-cyclohexyl-2-[[ethyl(2-methylpropyl)carbamoyl]amino]acetic acid

2-cyclohexyl-2-[[ethyl(2-methylpropyl)carbamoyl]amino]acetic acid (PubChem CID 61197769) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-cyclohexyl-2-[[ethyl(2-methylpropyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[[ethyl(2-methylpropyl)carbamoyl]amino]acetic acid
PubChem CID61197769
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-cyclohexyl-2-[[ethyl(2-methylpropyl)carbamoyl]amino]acetic acid
SMILESCCN(CC(C)C)C(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C15H28N2O3/c1-4-17(10-11(2)3)15(20)16-13(14(18)19)12-8-6-5-7-9-12/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyOURALMJQHOUZDG-UHFFFAOYSA-N
XLogP2.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid
CID 61195307
2-cyclohexyl-2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]acetic acid
CID 79377748
2-cyclohexyl-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]acetic acid
CID 61447344
2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]-2-cyclopropylacetic acid
CID 62711229
2-cyclopropyl-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]acetic acid
CID 62709513
2-cyclohexyl-2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetic acid
CID 82938789
2-cyclohexyl-2-(2-methylbutylcarbamoylamino)acetic acid
CID 55108414
(2R)-2-[[ethyl(2-methylpropyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976291
6-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-methylheptanoic acid
CID 65290123
1-ethyl-3-methyl-1-(2-methylpropyl)urea
CID 59108349
2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62697339
2-cyclohexyl-2-(propylcarbamoylamino)acetic acid
CID 61014378

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[[ethyl(2-methylpropyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[[ethyl(2-methylpropyl)carbamoyl]amino]acetic acid (CID 61197769) is 2-cyclohexyl-2-[[ethyl(2-methylpropyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[[ethyl(2-methylpropyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[[ethyl(2-methylpropyl)carbamoyl]amino]acetic acid is CCN(CC(C)C)C(=O)NC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-[[ethyl(2-methylpropyl)carbamoyl]amino]acetic acid?
The InChIKey is OURALMJQHOUZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-17(10-11(2)3)15(20)16-13(14(18)19)12-8-6-5-7-9-12/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 2-cyclohexyl-2-[[ethyl(2-methylpropyl)carbamoyl]amino]acetic acid?
2-cyclohexyl-2-[[ethyl(2-methylpropyl)carbamoyl]amino]acetic acid has a molecular weight of 284.40 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[[ethyl(2-methylpropyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 61197769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).