2-amino-4-[cycloheptyl(methyl)amino]butanoic acid

C12H24N2O2 — CID 63055281

IUPAC2-amino-4-[cycloheptyl(methyl)amino]butanoic acid
SMILESCN(CCC(N)C(=O)O)C1CCCCCC1
InChIInChI=1S/C12H24N2O2/c1-14(9-8-11(13)12(15)16)10-6-4-2-3-5-7-10/h10-11H,2-9,13H2,1H3,(H,15,16)
InChIKeyPITGNVPWXOWQFR-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.44
Rot. Bonds5

About 2-amino-4-[cycloheptyl(methyl)amino]butanoic acid

2-amino-4-[cycloheptyl(methyl)amino]butanoic acid (PubChem CID 63055281) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-amino-4-[cycloheptyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[cycloheptyl(methyl)amino]butanoic acid
PubChem CID63055281
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-amino-4-[cycloheptyl(methyl)amino]butanoic acid
SMILESCN(CCC(N)C(=O)O)C1CCCCCC1
InChIInChI=1S/C12H24N2O2/c1-14(9-8-11(13)12(15)16)10-6-4-2-3-5-7-10/h10-11H,2-9,13H2,1H3,(H,15,16)
InChIKeyPITGNVPWXOWQFR-UHFFFAOYSA-N
XLogP1.44
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid
CID 165445053
ethyl 2-amino-4-[cyclohexyl(methyl)amino]butanoate
CID 63030150
4-[cyclopentyl(methyl)amino]-2-(ethylamino)butanoic acid
CID 63027278
3-[cyclododecyl(methyl)amino]propanoic acid
CID 65063573
1-N-cyclohexyl-1-N,4,4-trimethylpentane-1,3-diamine
CID 62623516
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 54880376
2-[cycloheptyl(methyl)amino]acetic acid
CID 43409736
3-amino-4-[cyclohexyl(methyl)amino]butanoic acid
CID 115241626
3-amino-N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylbutanamide
CID 120872786
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]butanamide
CID 63316290
4-[cyclopentyl(methyl)amino]-2-(ethylamino)butanamide
CID 63028816
2-[cyclohexyl(methyl)amino]acetamide
CID 22200523

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[cycloheptyl(methyl)amino]butanoic acid?
The IUPAC name of 2-amino-4-[cycloheptyl(methyl)amino]butanoic acid (CID 63055281) is 2-amino-4-[cycloheptyl(methyl)amino]butanoic acid.
What is the SMILES notation for 2-amino-4-[cycloheptyl(methyl)amino]butanoic acid?
The canonical SMILES for 2-amino-4-[cycloheptyl(methyl)amino]butanoic acid is CN(CCC(N)C(=O)O)C1CCCCCC1.
What is the InChIKey of 2-amino-4-[cycloheptyl(methyl)amino]butanoic acid?
The InChIKey is PITGNVPWXOWQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-14(9-8-11(13)12(15)16)10-6-4-2-3-5-7-10/h10-11H,2-9,13H2,1H3,(H,15,16).
What are the key properties of 2-amino-4-[cycloheptyl(methyl)amino]butanoic acid?
2-amino-4-[cycloheptyl(methyl)amino]butanoic acid has a molecular weight of 228.34 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[cycloheptyl(methyl)amino]butanoic acid is sourced from PubChem (CID 63055281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).