ethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoate

C12H21NO4 — CID 103520334

IUPACethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)CC1(OC)CCC1
InChIInChI=1S/C12H21NO4/c1-4-17-11(15)9(2)13-10(14)8-12(16-3)6-5-7-12/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyRTCKMVKHKLEBMJ-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.01
Rot. Bonds6

About ethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoate

ethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoate (PubChem CID 103520334) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is ethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoate
PubChem CID103520334
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Nameethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)CC1(OC)CCC1
InChIInChI=1S/C12H21NO4/c1-4-17-11(15)9(2)13-10(14)8-12(16-3)6-5-7-12/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyRTCKMVKHKLEBMJ-UHFFFAOYSA-N
XLogP1.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanedioate
CID 103519956
1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 61499207
(2R)-2-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbutanoic acid
CID 103555686
2-(1-methoxycyclobutyl)acetohydrazide
CID 103555801
2-(1-methoxycyclobutyl)-N-(2-methylpropoxy)acetamide
CID 103525817
N-[1-(4-aminophenyl)ethyl]-2-(1-methoxycyclobutyl)acetamide
CID 103555376
methyl 2-bromo-3-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoate
CID 103558349
4-hydroxy-2-[[2-(1-methoxycyclobutyl)acetyl]amino]butanoic acid
CID 103555576
2-[1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutyl]acetic acid
CID 79851456
N-(2-bromopentyl)-2-(1-methoxycyclobutyl)acetamide
CID 103558313
N-(2-amino-4-methylpentyl)-2-(1-methoxycyclobutyl)acetamide
CID 107158751
N-[1-(3-aminophenyl)ethyl]-2-(1-methoxycyclobutyl)acetamide
CID 103555377

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoate?
The IUPAC name of ethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoate (CID 103520334) is ethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoate?
The canonical SMILES for ethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoate is CCOC(=O)C(C)NC(=O)CC1(OC)CCC1.
What is the InChIKey of ethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoate?
The InChIKey is RTCKMVKHKLEBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-4-17-11(15)9(2)13-10(14)8-12(16-3)6-5-7-12/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of ethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoate?
ethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoate has a molecular weight of 243.30 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoate is sourced from PubChem (CID 103520334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).