2-[1-(ethoxycarbonylamino)cyclobutyl]acetic acid

C9H15NO4 — CID 79845201

IUPAC2-[1-(ethoxycarbonylamino)cyclobutyl]acetic acid
SMILESCCOC(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C9H15NO4/c1-2-14-8(13)10-9(4-3-5-9)6-7(11)12/h2-6H2,1H3,(H,10,13)(H,11,12)
InChIKeyULPVOYZNFWNERT-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.13
Rot. Bonds4

About 2-[1-(ethoxycarbonylamino)cyclobutyl]acetic acid

2-[1-(ethoxycarbonylamino)cyclobutyl]acetic acid (PubChem CID 79845201) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-[1-(ethoxycarbonylamino)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(ethoxycarbonylamino)cyclobutyl]acetic acid
PubChem CID79845201
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-[1-(ethoxycarbonylamino)cyclobutyl]acetic acid
SMILESCCOC(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C9H15NO4/c1-2-14-8(13)10-9(4-3-5-9)6-7(11)12/h2-6H2,1H3,(H,10,13)(H,11,12)
InChIKeyULPVOYZNFWNERT-UHFFFAOYSA-N
XLogP1.13
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[1-(3-chloro-2-oxopropyl)cyclohexyl]carbamate
CID 104701425
2-[1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutyl]acetic acid
CID 79851456
2-[1-(ethoxycarbonylsulfamoylamino)cyclopentyl]acetic acid
CID 114462754
2-[1-(2,2,2-trifluoroethoxycarbonylamino)cyclohexyl]acetic acid
CID 64673107
2-[1-(ethylcarbamoylamino)cyclobutyl]acetic acid
CID 79846518
2-[1-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclobutyl]acetic acid
CID 79842467
2-[1-[[(2S)-2-aminobutanoyl]amino]cyclobutyl]acetic acid
CID 79845445
2-[1-(2-methylpent-2-enoylamino)cyclobutyl]acetic acid
CID 79849242
2-[1-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]cyclobutyl]acetic acid
CID 79846292
2-[1-[[2-(2-aminoethoxy)acetyl]amino]cyclobutyl]acetic acid
CID 79846049
2-[1-[(4-ethoxybenzoyl)amino]cyclobutyl]acetic acid
CID 79849172
2-[1-[[2-(4-ethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 119217956

Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethoxycarbonylamino)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(ethoxycarbonylamino)cyclobutyl]acetic acid (CID 79845201) is 2-[1-(ethoxycarbonylamino)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(ethoxycarbonylamino)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(ethoxycarbonylamino)cyclobutyl]acetic acid is CCOC(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-(ethoxycarbonylamino)cyclobutyl]acetic acid?
The InChIKey is ULPVOYZNFWNERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-2-14-8(13)10-9(4-3-5-9)6-7(11)12/h2-6H2,1H3,(H,10,13)(H,11,12).
What are the key properties of 2-[1-(ethoxycarbonylamino)cyclobutyl]acetic acid?
2-[1-(ethoxycarbonylamino)cyclobutyl]acetic acid has a molecular weight of 201.22 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethoxycarbonylamino)cyclobutyl]acetic acid is sourced from PubChem (CID 79845201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).