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

C14H26N2O3 — CID 115427967

IUPAC2,2-dimethyl-3-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid
SMILESCNC1(CC(=O)NCC(C)(C)C(=O)O)CCCCC1
InChIInChI=1S/C14H26N2O3/c1-13(2,12(18)19)10-16-11(17)9-14(15-3)7-5-4-6-8-14/h15H,4-10H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyQCGAMUMJIZNJAP-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.53
Rot. Bonds6

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

2,2-dimethyl-3-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid (PubChem CID 115427967) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid
PubChem CID115427967
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2,2-dimethyl-3-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid
SMILESCNC1(CC(=O)NCC(C)(C)C(=O)O)CCCCC1
InChIInChI=1S/C14H26N2O3/c1-13(2,12(18)19)10-16-11(17)9-14(15-3)7-5-4-6-8-14/h15H,4-10H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyQCGAMUMJIZNJAP-UHFFFAOYSA-N
XLogP1.53
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,2-trimethyl-3-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanamide
CID 106276909
N-(2-ethoxy-2-methylpropyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 114942287
N-ethyl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240911
3-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid
CID 65242262
N-(2-aminoethyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242364
3-[[2-(1-aminocyclohexyl)acetyl]amino]-N,2,2-trimethylpropanamide
CID 106276956
4-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]butanoic acid
CID 65242309
N-[1-(hydroxymethyl)cyclopentyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242231
N-[(2R)-2-hydroxypropyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 107220990
2-[1-(methylamino)cyclohexyl]-N-(2-methylprop-2-enyl)acetamide
CID 114617178
N-(3-hydroxypropyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240439
2-[1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentyl]acetic acid
CID 65241615

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid (CID 115427967) is 2,2-dimethyl-3-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid is CNC1(CC(=O)NCC(C)(C)C(=O)O)CCCCC1.
What is the InChIKey of 2,2-dimethyl-3-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid?
The InChIKey is QCGAMUMJIZNJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-13(2,12(18)19)10-16-11(17)9-14(15-3)7-5-4-6-8-14/h15H,4-10H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2,2-dimethyl-3-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid?
2,2-dimethyl-3-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid is sourced from PubChem (CID 115427967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).