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

C14H24N2O5 — CID 65242121

IUPAC2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]pentanedioic acid
SMILESCNC1(CC(=O)NC(CCC(=O)O)C(=O)O)CCCCC1
InChIInChI=1S/C14H24N2O5/c1-15-14(7-3-2-4-8-14)9-11(17)16-10(13(20)21)5-6-12(18)19/h10,15H,2-9H2,1H3,(H,16,17)(H,18,19)(H,20,21)
InChIKeyYOYRGRWWGXPPGF-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.73
Rot. Bonds8

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

2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]pentanedioic acid (PubChem CID 65242121) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]pentanedioic acid.

Molecular Properties

Compound Name2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]pentanedioic acid
PubChem CID65242121
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]pentanedioic acid
SMILESCNC1(CC(=O)NC(CCC(=O)O)C(=O)O)CCCCC1
InChIInChI=1S/C14H24N2O5/c1-15-14(7-3-2-4-8-14)9-11(17)16-10(13(20)21)5-6-12(18)19/h10,15H,2-9H2,1H3,(H,16,17)(H,18,19)(H,20,21)
InChIKeyYOYRGRWWGXPPGF-UHFFFAOYSA-N
XLogP0.73
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]pentanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid
CID 65242594
(2R)-3-hydroxy-2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid
CID 80751284
2-(propanoylamino)pentanedioic acid
CID 10436353
4-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]butanoic acid
CID 65242309
5-amino-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-oxopentanoic acid
CID 64679399
(2S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107824195
N-butan-2-yl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240859
2-[1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentyl]acetic acid
CID 65241615
N-(1-cyclopropylethyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240682
N-ethyl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240911
2-[[2-(1-adamantyl)acetyl]amino]pentanedioic acid
CID 75257795
(2S)-2-[[6-[[(1S)-1,3-dicarboxypropyl]amino]-6-oxohexanoyl]amino]pentanedioic acid
CID 100780583

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]pentanedioic acid?
The IUPAC name of 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]pentanedioic acid (CID 65242121) is 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]pentanedioic acid.
What is the SMILES notation for 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]pentanedioic acid?
The canonical SMILES for 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]pentanedioic acid is CNC1(CC(=O)NC(CCC(=O)O)C(=O)O)CCCCC1.
What is the InChIKey of 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]pentanedioic acid?
The InChIKey is YOYRGRWWGXPPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-15-14(7-3-2-4-8-14)9-11(17)16-10(13(20)21)5-6-12(18)19/h10,15H,2-9H2,1H3,(H,16,17)(H,18,19)(H,20,21).
What are the key properties of 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]pentanedioic acid?
2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]pentanedioic acid has a molecular weight of 300.36 g/mol, XLogP of 0.73, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]pentanedioic acid is sourced from PubChem (CID 65242121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).