2-[(3,4-dimethylcyclohexyl)carbamoyl-propylamino]acetic acid

C14H26N2O3 — CID 64741185

IUPAC2-[(3,4-dimethylcyclohexyl)carbamoyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)NC1CCC(C)C(C)C1
InChIInChI=1S/C14H26N2O3/c1-4-7-16(9-13(17)18)14(19)15-12-6-5-10(2)11(3)8-12/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyHYIRRBOFWXYVTA-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.32
Rot. Bonds5

About 2-[(3,4-dimethylcyclohexyl)carbamoyl-propylamino]acetic acid

2-[(3,4-dimethylcyclohexyl)carbamoyl-propylamino]acetic acid (PubChem CID 64741185) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[(3,4-dimethylcyclohexyl)carbamoyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(3,4-dimethylcyclohexyl)carbamoyl-propylamino]acetic acid
PubChem CID64741185
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[(3,4-dimethylcyclohexyl)carbamoyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)NC1CCC(C)C(C)C1
InChIInChI=1S/C14H26N2O3/c1-4-7-16(9-13(17)18)14(19)15-12-6-5-10(2)11(3)8-12/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyHYIRRBOFWXYVTA-UHFFFAOYSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,4-dimethylcyclohexyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272291
2-[(3-methylsulfanylcyclopentyl)carbamoyl-propylamino]acetic acid
CID 114124070
2-[carboxymethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid
CID 114548922
2-[ethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid
CID 114548741
2-[oxan-4-ylcarbamoyl(propyl)amino]acetic acid
CID 55032022
3-[(3,4-dimethylcyclohexyl)carbamoyl-methylamino]propanoic acid
CID 64743332
2-[cyclopropylcarbamoyl(propyl)amino]-N,N-dimethylacetamide
CID 115590449
3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63041946
cis-(1R,3S)-3-(dibutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106324121
2-[(3-methylcyclopentyl)methylcarbamoyl-propylamino]acetic acid
CID 107414624
2-[(3,5-dimethylcyclohexyl)carbamoyl-ethylamino]acetic acid
CID 64733515
1-(2-aminoethyl)-3-cyclopropyl-1-propylurea
CID 62698156

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylcyclohexyl)carbamoyl-propylamino]acetic acid?
The IUPAC name of 2-[(3,4-dimethylcyclohexyl)carbamoyl-propylamino]acetic acid (CID 64741185) is 2-[(3,4-dimethylcyclohexyl)carbamoyl-propylamino]acetic acid.
What is the SMILES notation for 2-[(3,4-dimethylcyclohexyl)carbamoyl-propylamino]acetic acid?
The canonical SMILES for 2-[(3,4-dimethylcyclohexyl)carbamoyl-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)NC1CCC(C)C(C)C1.
What is the InChIKey of 2-[(3,4-dimethylcyclohexyl)carbamoyl-propylamino]acetic acid?
The InChIKey is HYIRRBOFWXYVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-7-16(9-13(17)18)14(19)15-12-6-5-10(2)11(3)8-12/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[(3,4-dimethylcyclohexyl)carbamoyl-propylamino]acetic acid?
2-[(3,4-dimethylcyclohexyl)carbamoyl-propylamino]acetic acid has a molecular weight of 270.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylcyclohexyl)carbamoyl-propylamino]acetic acid is sourced from PubChem (CID 64741185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).