2-[ethyl-[3-[(4-methyl-2-propoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid

C19H29N3O4 — CID 122076851

IUPAC2-[ethyl-[3-[(4-methyl-2-propoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
SMILESCCCOc1cc(C)ccc1NC(=O)NC1CC(N(CC)CC(=O)O)C1
InChIInChI=1S/C19H29N3O4/c1-4-8-26-17-9-13(3)6-7-16(17)21-19(25)20-14-10-15(11-14)22(5-2)12-18(23)24/h6-7,9,14-15H,4-5,8,10-12H2,1-3H3,(H,23,24)(H2,20,21,25)
InChIKeyCMRGULUNZQMGLG-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.84
Rot. Bonds9

About 2-[ethyl-[3-[(4-methyl-2-propoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid

2-[ethyl-[3-[(4-methyl-2-propoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid (PubChem CID 122076851) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[ethyl-[3-[(4-methyl-2-propoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-[(4-methyl-2-propoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
PubChem CID122076851
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name2-[ethyl-[3-[(4-methyl-2-propoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
SMILESCCCOc1cc(C)ccc1NC(=O)NC1CC(N(CC)CC(=O)O)C1
InChIInChI=1S/C19H29N3O4/c1-4-8-26-17-9-13(3)6-7-16(17)21-19(25)20-14-10-15(11-14)22(5-2)12-18(23)24/h6-7,9,14-15H,4-5,8,10-12H2,1-3H3,(H,23,24)(H2,20,21,25)
InChIKeyCMRGULUNZQMGLG-UHFFFAOYSA-N
XLogP2.84
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[ethyl-[3-[(4-methyl-2-propoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid with MolForge

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Related Compounds

2-[[3-[(2-chloro-4-methylphenyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122073682
2-[ethyl-[3-[[4-(2-methoxyethoxy)-2-methylphenyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122076815
2-[ethyl-[3-[(3-methylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073438
2-[[3-[[2-(difluoromethoxy)-4-fluorophenyl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122085730
2-[ethyl-[3-[(2-methylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073443
2-[[3-[(6-ethoxy-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122090721
2-[[3-[[4-chloro-2-(difluoromethoxy)phenyl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122089950
2-[[3-[[3-chloro-4-(2-methoxyethoxy)phenyl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122077416
2-[ethyl-[3-[[2-[(2-methylpropan-2-yl)oxy]phenyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122084823
2-[[3-[[2,4-di(propan-2-yl)phenyl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122075668
2-[ethyl-[3-[(6-methyl-1,3-benzodioxol-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122089238
2-[ethyl-[3-[(2,3,5-trifluorophenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122094164

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[(4-methyl-2-propoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-[(4-methyl-2-propoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid (CID 122076851) is 2-[ethyl-[3-[(4-methyl-2-propoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-[(4-methyl-2-propoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-[(4-methyl-2-propoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid is CCCOc1cc(C)ccc1NC(=O)NC1CC(N(CC)CC(=O)O)C1.
What is the InChIKey of 2-[ethyl-[3-[(4-methyl-2-propoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid?
The InChIKey is CMRGULUNZQMGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-4-8-26-17-9-13(3)6-7-16(17)21-19(25)20-14-10-15(11-14)22(5-2)12-18(23)24/h6-7,9,14-15H,4-5,8,10-12H2,1-3H3,(H,23,24)(H2,20,21,25).
What are the key properties of 2-[ethyl-[3-[(4-methyl-2-propoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid?
2-[ethyl-[3-[(4-methyl-2-propoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid has a molecular weight of 363.46 g/mol, XLogP of 2.84, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-[(4-methyl-2-propoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122076851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).