2-(1-cyclohexylpropylcarbamoylamino)-2-methylpropanoic acid

C14H26N2O3 — CID 62405641

IUPAC2-(1-cyclohexylpropylcarbamoylamino)-2-methylpropanoic acid
SMILESCCC(NC(=O)NC(C)(C)C(=O)O)C1CCCCC1
InChIInChI=1S/C14H26N2O3/c1-4-11(10-8-6-5-7-9-10)15-13(19)16-14(2,3)12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyYGVNCEIGNCWIAF-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.51
Rot. Bonds5

About 2-(1-cyclohexylpropylcarbamoylamino)-2-methylpropanoic acid

2-(1-cyclohexylpropylcarbamoylamino)-2-methylpropanoic acid (PubChem CID 62405641) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-(1-cyclohexylpropylcarbamoylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(1-cyclohexylpropylcarbamoylamino)-2-methylpropanoic acid
PubChem CID62405641
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-(1-cyclohexylpropylcarbamoylamino)-2-methylpropanoic acid
SMILESCCC(NC(=O)NC(C)(C)C(=O)O)C1CCCCC1
InChIInChI=1S/C14H26N2O3/c1-4-11(10-8-6-5-7-9-10)15-13(19)16-14(2,3)12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyYGVNCEIGNCWIAF-UHFFFAOYSA-N
XLogP2.51
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclohexylpropyl)-2-(ethylamino)-2-methylpropanamide
CID 62834265
N-(1-cyclohexylpropyl)acetamide
CID 45119320
2-(1-cyclohexylpropylcarbamoylamino)-3-methylbutanoic acid
CID 62406363
2-(cycloheptylcarbamoylamino)-2-methylpropanoic acid
CID 61266736
2-(1-cyclohexylpropylcarbamoylamino)oxyacetic acid
CID 113498344
(2R)-2-(1-cyclohexylpropylcarbamoylamino)-4-methylpentanoic acid
CID 78989662
1-(1-cyclopropylpropyl)-3-propan-2-ylurea
CID 68521863
2-(1-cyclohexylpropylcarbamoylamino)hexanoic acid
CID 62406894
2-chloro-N-(1-cyclohexylpropyl)acetamide
CID 62407197
2-amino-N-(1-cyclohexylpropyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79811328
2-bromo-N-(1-cyclohexylpropyl)propanamide
CID 107905149
N-(1-cyclobutylpropyl)acetamide
CID 127002620

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpropylcarbamoylamino)-2-methylpropanoic acid?
The IUPAC name of 2-(1-cyclohexylpropylcarbamoylamino)-2-methylpropanoic acid (CID 62405641) is 2-(1-cyclohexylpropylcarbamoylamino)-2-methylpropanoic acid.
What is the SMILES notation for 2-(1-cyclohexylpropylcarbamoylamino)-2-methylpropanoic acid?
The canonical SMILES for 2-(1-cyclohexylpropylcarbamoylamino)-2-methylpropanoic acid is CCC(NC(=O)NC(C)(C)C(=O)O)C1CCCCC1.
What is the InChIKey of 2-(1-cyclohexylpropylcarbamoylamino)-2-methylpropanoic acid?
The InChIKey is YGVNCEIGNCWIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-11(10-8-6-5-7-9-10)15-13(19)16-14(2,3)12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-(1-cyclohexylpropylcarbamoylamino)-2-methylpropanoic acid?
2-(1-cyclohexylpropylcarbamoylamino)-2-methylpropanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpropylcarbamoylamino)-2-methylpropanoic acid is sourced from PubChem (CID 62405641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).