2-[cycloheptylmethyl(cyclopropyl)amino]propanoic acid

C14H25NO2 — CID 122082922

IUPAC2-[cycloheptylmethyl(cyclopropyl)amino]propanoic acid
SMILESCC(C(=O)O)N(CC1CCCCCC1)C1CC1
InChIInChI=1S/C14H25NO2/c1-11(14(16)17)15(13-8-9-13)10-12-6-4-2-3-5-7-12/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyXKRBGNWJRZHWCE-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.89
Rot. Bonds5

About 2-[cycloheptylmethyl(cyclopropyl)amino]propanoic acid

2-[cycloheptylmethyl(cyclopropyl)amino]propanoic acid (PubChem CID 122082922) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[cycloheptylmethyl(cyclopropyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[cycloheptylmethyl(cyclopropyl)amino]propanoic acid
PubChem CID122082922
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-[cycloheptylmethyl(cyclopropyl)amino]propanoic acid
SMILESCC(C(=O)O)N(CC1CCCCCC1)C1CC1
InChIInChI=1S/C14H25NO2/c1-11(14(16)17)15(13-8-9-13)10-12-6-4-2-3-5-7-12/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyXKRBGNWJRZHWCE-UHFFFAOYSA-N
XLogP2.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 122083126
2-[[cyclohexylmethyl(methyl)carbamoyl]-methylamino]propanoic acid
CID 62637388
2-[cyclopropyl(propyl)amino]propanoic acid
CID 43270597
2-[cyclopropyl-[2-(3-methylcyclohexyl)ethyl]amino]propanoic acid
CID 122100553
2-[(2-cyclohexylacetyl)-methylamino]propanoic acid
CID 62627808
2-[cyclohexyl(methyl)amino]propanoic acid
CID 22906743
(2S)-2-[cyclohexyl-[1-deuterio-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoic acid
CID 139924342
2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-3-methylpentanamide
CID 54873047
(2S)-2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-3-methylpentanamide
CID 61174275
(2S)-2-[amino(cyclohexyl)amino]propanoic acid
CID 54156579
(2S)-2-[cyclohexylmethyl(methyl)amino]-4-methylpentanoic acid
CID 54294030
3-chloro-N-(cyclohexylmethyl)-N-cyclopropyl-2-methylpropanamide
CID 62728154

Frequently Asked Questions

What is the IUPAC name of 2-[cycloheptylmethyl(cyclopropyl)amino]propanoic acid?
The IUPAC name of 2-[cycloheptylmethyl(cyclopropyl)amino]propanoic acid (CID 122082922) is 2-[cycloheptylmethyl(cyclopropyl)amino]propanoic acid.
What is the SMILES notation for 2-[cycloheptylmethyl(cyclopropyl)amino]propanoic acid?
The canonical SMILES for 2-[cycloheptylmethyl(cyclopropyl)amino]propanoic acid is CC(C(=O)O)N(CC1CCCCCC1)C1CC1.
What is the InChIKey of 2-[cycloheptylmethyl(cyclopropyl)amino]propanoic acid?
The InChIKey is XKRBGNWJRZHWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11(14(16)17)15(13-8-9-13)10-12-6-4-2-3-5-7-12/h11-13H,2-10H2,1H3,(H,16,17).
What are the key properties of 2-[cycloheptylmethyl(cyclopropyl)amino]propanoic acid?
2-[cycloheptylmethyl(cyclopropyl)amino]propanoic acid has a molecular weight of 239.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cycloheptylmethyl(cyclopropyl)amino]propanoic acid is sourced from PubChem (CID 122082922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).