1-[1-(furan-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxylic acid

C15H22N2O4 — CID 61197564

IUPAC1-[1-(furan-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxylic acid
SMILESCC(NC(=O)NC1(C(=O)O)CCCCCC1)c1ccco1
InChIInChI=1S/C15H22N2O4/c1-11(12-7-6-10-21-12)16-14(20)17-15(13(18)19)8-4-2-3-5-9-15/h6-7,10-11H,2-5,8-9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyHFAVGZYRXLTXLH-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.82
Rot. Bonds4

About 1-[1-(furan-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxylic acid

1-[1-(furan-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxylic acid (PubChem CID 61197564) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[1-(furan-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxylic acid
PubChem CID61197564
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name1-[1-(furan-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxylic acid
SMILESCC(NC(=O)NC1(C(=O)O)CCCCCC1)c1ccco1
InChIInChI=1S/C15H22N2O4/c1-11(12-7-6-10-21-12)16-14(20)17-15(13(18)19)8-4-2-3-5-9-15/h6-7,10-11H,2-5,8-9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyHFAVGZYRXLTXLH-UHFFFAOYSA-N
XLogP2.82
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-phenylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61186922
2-[1-[1-(furan-2-yl)ethylcarbamoylamino]cyclobutyl]acetic acid
CID 79851604
1-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43402811
1-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 81409013
2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid
CID 61199815
2-(1-aminocyclohexyl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 81400282
1-(furan-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 43151464
1-[(1R)-1-(furan-2-yl)ethyl]-3-phenylurea
CID 51473393
1-[(1S)-1-(furan-2-yl)ethyl]-3-phenylurea
CID 51473392
1-[1-(furan-2-yl)propan-2-ylamino]cyclopentane-1-carboxylic acid
CID 114990407
1-[1-(3-bromophenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 81162890
1-amino-N-[(1R)-1-(furan-2-yl)ethyl]cyclopropane-1-carboxamide
CID 81400423

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[1-(furan-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxylic acid (CID 61197564) is 1-[1-(furan-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[1-(furan-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[1-(furan-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxylic acid is CC(NC(=O)NC1(C(=O)O)CCCCCC1)c1ccco1.
What is the InChIKey of 1-[1-(furan-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxylic acid?
The InChIKey is HFAVGZYRXLTXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11(12-7-6-10-21-12)16-14(20)17-15(13(18)19)8-4-2-3-5-9-15/h6-7,10-11H,2-5,8-9H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 1-[1-(furan-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxylic acid?
1-[1-(furan-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 61197564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).