3-[[3-(cyclohexylmethylamino)-3-oxopropyl]-methylamino]propanoic acid

C14H26N2O3 — CID 119911752

IUPAC3-[[3-(cyclohexylmethylamino)-3-oxopropyl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)CCC(=O)NCC1CCCCC1
InChIInChI=1S/C14H26N2O3/c1-16(10-8-14(18)19)9-7-13(17)15-11-12-5-3-2-4-6-12/h12H,2-11H2,1H3,(H,15,17)(H,18,19)
InChIKeyCDWNBKBULGVUNE-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.48
Rot. Bonds8

About 3-[[3-(cyclohexylmethylamino)-3-oxopropyl]-methylamino]propanoic acid

3-[[3-(cyclohexylmethylamino)-3-oxopropyl]-methylamino]propanoic acid (PubChem CID 119911752) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-[[3-(cyclohexylmethylamino)-3-oxopropyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[3-(cyclohexylmethylamino)-3-oxopropyl]-methylamino]propanoic acid
PubChem CID119911752
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-[[3-(cyclohexylmethylamino)-3-oxopropyl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)CCC(=O)NCC1CCCCC1
InChIInChI=1S/C14H26N2O3/c1-16(10-8-14(18)19)9-7-13(17)15-11-12-5-3-2-4-6-12/h12H,2-11H2,1H3,(H,15,17)(H,18,19)
InChIKeyCDWNBKBULGVUNE-UHFFFAOYSA-N
XLogP1.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-cyclopentylethyl(methyl)amino]propanoic acid
CID 115218342
2-[cyclohexylmethylcarbamoyl(methyl)amino]acetic acid
CID 43371697
5-(cyclobutylmethylamino)-5-oxopentanoic acid
CID 43529068
N-(cyclohexylmethyl)-4-oxopentanamide
CID 60637241
3-(cyclopentylmethylamino)-3-oxopropanoic acid
CID 62232432
N-(cyclobutylmethyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 111109838
N-(cyclohexylmethyl)-2-(dipropylamino)acetamide
CID 55437784
2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 119913375
3-[(2-cycloheptylacetyl)-methylamino]propanoic acid
CID 115736297
tert-butyl 4-(cyclohexylmethylamino)-4-oxobutanoate
CID 106706920
3-[[2-(cyclopropylmethylamino)-2-oxoethyl]-ethylamino]propanoic acid
CID 61010924
4-amino-N-(cyclopentylmethyl)butanamide
CID 43371168

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(cyclohexylmethylamino)-3-oxopropyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[3-(cyclohexylmethylamino)-3-oxopropyl]-methylamino]propanoic acid (CID 119911752) is 3-[[3-(cyclohexylmethylamino)-3-oxopropyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[3-(cyclohexylmethylamino)-3-oxopropyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[3-(cyclohexylmethylamino)-3-oxopropyl]-methylamino]propanoic acid is CN(CCC(=O)O)CCC(=O)NCC1CCCCC1.
What is the InChIKey of 3-[[3-(cyclohexylmethylamino)-3-oxopropyl]-methylamino]propanoic acid?
The InChIKey is CDWNBKBULGVUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-16(10-8-14(18)19)9-7-13(17)15-11-12-5-3-2-4-6-12/h12H,2-11H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 3-[[3-(cyclohexylmethylamino)-3-oxopropyl]-methylamino]propanoic acid?
3-[[3-(cyclohexylmethylamino)-3-oxopropyl]-methylamino]propanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(cyclohexylmethylamino)-3-oxopropyl]-methylamino]propanoic acid is sourced from PubChem (CID 119911752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).