2-cyclohexyl-2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetic acid

C14H27N3O3 — CID 82938789

IUPAC2-cyclohexyl-2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetic acid
SMILESCC(CN(C)C)NC(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C14H27N3O3/c1-10(9-17(2)3)15-14(20)16-12(13(18)19)11-7-5-4-6-8-11/h10-12H,4-9H2,1-3H3,(H,18,19)(H2,15,16,20)
InChIKeySIVBSJLRRXXFQX-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.27
Rot. Bonds6

About 2-cyclohexyl-2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetic acid

2-cyclohexyl-2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetic acid (PubChem CID 82938789) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-cyclohexyl-2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetic acid
PubChem CID82938789
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name2-cyclohexyl-2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetic acid
SMILESCC(CN(C)C)NC(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C14H27N3O3/c1-10(9-17(2)3)15-14(20)16-12(13(18)19)11-7-5-4-6-8-11/h10-12H,4-9H2,1-3H3,(H,18,19)(H2,15,16,20)
InChIKeySIVBSJLRRXXFQX-UHFFFAOYSA-N
XLogP1.27
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-[1-(dimethylamino)propan-2-yl]urea
CID 116657212
2-cyclohexyl-2-(dimethylaminocarbamoylamino)acetic acid
CID 83017392
2-cyclohexyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid
CID 61195307
2-cyclohexyl-2-(2-cyclopropylpropylcarbamoylamino)acetic acid
CID 103997560
2-cyclohexyl-2-(propylcarbamoylamino)acetic acid
CID 61014378
2-cyclohexyl-2-[(1-methylcyclopropyl)methylcarbamoylamino]acetic acid
CID 113364251
2-cyclohexyl-2-(2-methylbutylcarbamoylamino)acetic acid
CID 55108414
2-cyclohexyl-2-[[ethyl(2-methylpropyl)carbamoyl]amino]acetic acid
CID 61197769
2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid
CID 82939192
(2S)-2-cyclohexyl-2-[2-(dimethylamino)ethylamino]acetic acid
CID 67022413
2-cyclohexyl-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]acetic acid
CID 61199133
2-cyclopropyl-2-[2-(dimethylamino)ethylcarbamoylamino]acetic acid
CID 62695644

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetic acid (CID 82938789) is 2-cyclohexyl-2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetic acid is CC(CN(C)C)NC(=O)NC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetic acid?
The InChIKey is SIVBSJLRRXXFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-10(9-17(2)3)15-14(20)16-12(13(18)19)11-7-5-4-6-8-11/h10-12H,4-9H2,1-3H3,(H,18,19)(H2,15,16,20).
What are the key properties of 2-cyclohexyl-2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetic acid?
2-cyclohexyl-2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetic acid has a molecular weight of 285.39 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetic acid is sourced from PubChem (CID 82938789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).