2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]-4-methoxybutanoic acid

C14H26N2O5 — CID 114829126

IUPAC2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]-4-methoxybutanoic acid
SMILESCCOC1CC(N)(C(=O)NC(CCOC)C(=O)O)C1(C)C
InChIInChI=1S/C14H26N2O5/c1-5-21-10-8-14(15,13(10,2)3)12(19)16-9(11(17)18)6-7-20-4/h9-10H,5-8,15H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyXZDIFKXLVWAGHU-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.12
Rot. Bonds8

About 2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]-4-methoxybutanoic acid

2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]-4-methoxybutanoic acid (PubChem CID 114829126) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]-4-methoxybutanoic acid
PubChem CID114829126
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]-4-methoxybutanoic acid
SMILESCCOC1CC(N)(C(=O)NC(CCOC)C(=O)O)C1(C)C
InChIInChI=1S/C14H26N2O5/c1-5-21-10-8-14(15,13(10,2)3)12(19)16-9(11(17)18)6-7-20-4/h9-10H,5-8,15H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyXZDIFKXLVWAGHU-UHFFFAOYSA-N
XLogP0.12
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]-4-hydroxybutanoic acid
CID 107825130
1-amino-3-ethoxy-2,2-dimethyl-N-propan-2-ylcyclobutane-1-carboxamide
CID 114827756
1-amino-N-(1,1-dimethoxypropan-2-yl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114829345
methyl 2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]-3-methylbutanoate
CID 114828888
1-amino-3-ethoxy-N-[(2S)-1-hydroxypropan-2-yl]-2,2-dimethylcyclobutane-1-carboxamide
CID 107219003
1-amino-3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethylcyclobutane-1-carboxamide
CID 114829054
1-amino-3-ethoxy-2,2-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]cyclobutane-1-carboxamide
CID 114828983
1-amino-3-ethoxy-N-(4-ethylsulfanylbutan-2-yl)-2,2-dimethylcyclobutane-1-carboxamide
CID 114830086
trans-(1R,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 97300458
1-amino-N-(cyanomethyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114828942
1-amino-3-ethoxy-2,2-dimethyl-N-(2-methylcyclopropyl)cyclobutane-1-carboxamide
CID 114829122
2-[2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]ethoxy]acetic acid
CID 114829545

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]-4-methoxybutanoic acid (CID 114829126) is 2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]-4-methoxybutanoic acid is CCOC1CC(N)(C(=O)NC(CCOC)C(=O)O)C1(C)C.
What is the InChIKey of 2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]-4-methoxybutanoic acid?
The InChIKey is XZDIFKXLVWAGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-5-21-10-8-14(15,13(10,2)3)12(19)16-9(11(17)18)6-7-20-4/h9-10H,5-8,15H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]-4-methoxybutanoic acid?
2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]-4-methoxybutanoic acid has a molecular weight of 302.37 g/mol, XLogP of 0.12, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]-4-methoxybutanoic acid is sourced from PubChem (CID 114829126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).