2-cyclohexyl-2-[(1-methylcyclopropyl)methylcarbamoylamino]acetic acid

C14H24N2O3 — CID 113364251

IUPAC2-cyclohexyl-2-[(1-methylcyclopropyl)methylcarbamoylamino]acetic acid
SMILESCC1(CNC(=O)NC(C(=O)O)C2CCCCC2)CC1
InChIInChI=1S/C14H24N2O3/c1-14(7-8-14)9-15-13(19)16-11(12(17)18)10-5-3-2-4-6-10/h10-11H,2-9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyUWNPJEXDMIQABL-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.12
Rot. Bonds5

About 2-cyclohexyl-2-[(1-methylcyclopropyl)methylcarbamoylamino]acetic acid

2-cyclohexyl-2-[(1-methylcyclopropyl)methylcarbamoylamino]acetic acid (PubChem CID 113364251) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-cyclohexyl-2-[(1-methylcyclopropyl)methylcarbamoylamino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[(1-methylcyclopropyl)methylcarbamoylamino]acetic acid
PubChem CID113364251
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-cyclohexyl-2-[(1-methylcyclopropyl)methylcarbamoylamino]acetic acid
SMILESCC1(CNC(=O)NC(C(=O)O)C2CCCCC2)CC1
InChIInChI=1S/C14H24N2O3/c1-14(7-8-14)9-15-13(19)16-11(12(17)18)10-5-3-2-4-6-10/h10-11H,2-9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyUWNPJEXDMIQABL-UHFFFAOYSA-N
XLogP2.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-2-(propylcarbamoylamino)acetic acid
CID 61014378
2-cyclopropyl-2-[(1-ethylcyclopentyl)methylcarbamoylamino]acetic acid
CID 114126135
2-cyclohexyl-2-[3-(methylamino)propylcarbamoylamino]acetic acid
CID 61404684
2-cyclopropyl-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid
CID 83114452
2-(benzylcarbamoylamino)-2-cyclohexylacetic acid
CID 61182880
2-cyclohexyl-2-(2-cyclopropylpropylcarbamoylamino)acetic acid
CID 103997560
2-cyclohexyl-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]acetic acid
CID 61199133
2-cyclohexyl-2-(2-methylbutylcarbamoylamino)acetic acid
CID 55108414
2-cyclohexyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]acetic acid
CID 107419876
2-cyclohexyl-2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetic acid
CID 82938789
2-cyclohexyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]acetic acid
CID 63303976
2-cyclohexyl-2-(1H-imidazol-2-ylmethylcarbamoylamino)acetic acid
CID 64523352

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[(1-methylcyclopropyl)methylcarbamoylamino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[(1-methylcyclopropyl)methylcarbamoylamino]acetic acid (CID 113364251) is 2-cyclohexyl-2-[(1-methylcyclopropyl)methylcarbamoylamino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[(1-methylcyclopropyl)methylcarbamoylamino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[(1-methylcyclopropyl)methylcarbamoylamino]acetic acid is CC1(CNC(=O)NC(C(=O)O)C2CCCCC2)CC1.
What is the InChIKey of 2-cyclohexyl-2-[(1-methylcyclopropyl)methylcarbamoylamino]acetic acid?
The InChIKey is UWNPJEXDMIQABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-14(7-8-14)9-15-13(19)16-11(12(17)18)10-5-3-2-4-6-10/h10-11H,2-9H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-cyclohexyl-2-[(1-methylcyclopropyl)methylcarbamoylamino]acetic acid?
2-cyclohexyl-2-[(1-methylcyclopropyl)methylcarbamoylamino]acetic acid has a molecular weight of 268.36 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[(1-methylcyclopropyl)methylcarbamoylamino]acetic acid is sourced from PubChem (CID 113364251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).