1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cycloheptane-1-carboxylic acid

C13H23N3O5 — CID 106239374

IUPAC1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cycloheptane-1-carboxylic acid
SMILESNC(=O)COCCNC(=O)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C13H23N3O5/c14-10(17)9-21-8-7-15-12(20)16-13(11(18)19)5-3-1-2-4-6-13/h1-9H2,(H2,14,17)(H,18,19)(H2,15,16,20)
InChIKeyRXBWTLUQSDVPIB-UHFFFAOYSA-N
MW301.34 g/mol
LogP-0.03
Rot. Bonds7

About 1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cycloheptane-1-carboxylic acid

1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cycloheptane-1-carboxylic acid (PubChem CID 106239374) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is 1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cycloheptane-1-carboxylic acid
PubChem CID106239374
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cycloheptane-1-carboxylic acid
SMILESNC(=O)COCCNC(=O)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C13H23N3O5/c14-10(17)9-21-8-7-15-12(20)16-13(11(18)19)5-3-1-2-4-6-13/h1-9H2,(H2,14,17)(H,18,19)(H2,15,16,20)
InChIKeyRXBWTLUQSDVPIB-UHFFFAOYSA-N
XLogP-0.03
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cyclohexyl]acetic acid
CID 106239741
1-(2-aminoethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61402688
1-[2-[2-(2-amino-2-oxoethoxy)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 106234720
1-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 106239344
1-(2-cyclopentyloxyethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63832820
1-[(3-methoxy-3-oxopropyl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61299743
1-(2-sulfamoylethylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 61203572
1-(hexylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 29006529
1-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]cyclohexane-1-carboxamide
CID 106235064
1-(hexylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 29006531
1-(2-pyrrolidin-1-ylethylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 62634646
1-[(2-propoxyacetyl)amino]cyclohexane-1-carboxylic acid
CID 103627584

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cycloheptane-1-carboxylic acid (CID 106239374) is 1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cycloheptane-1-carboxylic acid is NC(=O)COCCNC(=O)NC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cycloheptane-1-carboxylic acid?
The InChIKey is RXBWTLUQSDVPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O5/c14-10(17)9-21-8-7-15-12(20)16-13(11(18)19)5-3-1-2-4-6-13/h1-9H2,(H2,14,17)(H,18,19)(H2,15,16,20).
What are the key properties of 1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cycloheptane-1-carboxylic acid?
1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cycloheptane-1-carboxylic acid has a molecular weight of 301.34 g/mol, XLogP of -0.03, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 106239374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).