3-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid

C12H22N2O3 — CID 65242262

IUPAC3-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid
SMILESCNC1(CC(=O)NCCC(=O)O)CCCCC1
InChIInChI=1S/C12H22N2O3/c1-13-12(6-3-2-4-7-12)9-10(15)14-8-5-11(16)17/h13H,2-9H2,1H3,(H,14,15)(H,16,17)
InChIKeyAEZBSGDNRKINFM-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.89
Rot. Bonds6

About 3-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid

3-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid (PubChem CID 65242262) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid
PubChem CID65242262
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid
SMILESCNC1(CC(=O)NCCC(=O)O)CCCCC1
InChIInChI=1S/C12H22N2O3/c1-13-12(6-3-2-4-7-12)9-10(15)14-8-5-11(16)17/h13H,2-9H2,1H3,(H,14,15)(H,16,17)
InChIKeyAEZBSGDNRKINFM-UHFFFAOYSA-N
XLogP0.89
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]butanoic acid
CID 65242309
N-(2-aminoethyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242364
N-(3-hydroxypropyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240439
N-ethyl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240911
N-hexyl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242387
2-[1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentyl]acetic acid
CID 65241615
2-[1-(methylamino)cyclohexyl]-N-(4,4,4-trifluorobutyl)acetamide
CID 115519309
N-[2-[di(propan-2-yl)amino]ethyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240571
2,2-dimethyl-3-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid
CID 115427967
2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]pentanedioic acid
CID 65242121
N-[1-(hydroxymethyl)cyclopentyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242231
N-[(2R)-2-hydroxypropyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 107220990

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid?
The IUPAC name of 3-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid (CID 65242262) is 3-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid is CNC1(CC(=O)NCCC(=O)O)CCCCC1.
What is the InChIKey of 3-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid?
The InChIKey is AEZBSGDNRKINFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-13-12(6-3-2-4-7-12)9-10(15)14-8-5-11(16)17/h13H,2-9H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid?
3-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid is sourced from PubChem (CID 65242262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).