2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxypentanoic acid

C14H26N2O4 — CID 81078638

IUPAC2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)CC1(N)CCCCC1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-20-9-5-6-11(13(18)19)16-12(17)10-14(15)7-3-2-4-8-14/h11H,2-10,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyVZEVEQLLRPGEIH-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.03
Rot. Bonds8

About 2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxypentanoic acid

2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxypentanoic acid (PubChem CID 81078638) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxypentanoic acid.

Molecular Properties

Compound Name2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxypentanoic acid
PubChem CID81078638
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)CC1(N)CCCCC1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-20-9-5-6-11(13(18)19)16-12(17)10-14(15)7-3-2-4-8-14/h11H,2-10,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyVZEVEQLLRPGEIH-UHFFFAOYSA-N
XLogP1.03
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107824195
(2S)-2-[[2-(1-aminocyclopentyl)acetyl]amino]pentanoic acid
CID 107565076
2-[[2-(1-aminocyclobutyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 82786524
5-amino-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-oxopentanoic acid
CID 64679399
5-methoxy-2-(propanoylamino)pentanoic acid
CID 81076989
5-methoxy-2-[(1-methylcyclohexyl)carbamoylamino]pentanoic acid
CID 81085133
2-(1-aminocyclohexyl)-N-(1-methoxypentan-2-yl)acetamide
CID 64677686
(2S)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-hydroxypropanoic acid
CID 79854103
2-(4-aminopentanoylamino)-5-methoxypentanoic acid
CID 81077924
2-(3-cyclohexylpropanoylamino)-5-methoxypentanoic acid
CID 81076333
2-(azepane-1-carbonylamino)-5-methoxypentanoic acid
CID 81076676
2-(1-aminocyclopentyl)-N-(1-methoxybutan-2-yl)acetamide
CID 64677485

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxypentanoic acid?
The IUPAC name of 2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxypentanoic acid (CID 81078638) is 2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxypentanoic acid.
What is the SMILES notation for 2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxypentanoic acid?
The canonical SMILES for 2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxypentanoic acid is COCCCC(NC(=O)CC1(N)CCCCC1)C(=O)O.
What is the InChIKey of 2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxypentanoic acid?
The InChIKey is VZEVEQLLRPGEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-20-9-5-6-11(13(18)19)16-12(17)10-14(15)7-3-2-4-8-14/h11H,2-10,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxypentanoic acid?
2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxypentanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.03, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxypentanoic acid is sourced from PubChem (CID 81078638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).