5-[2-(furan-2-yl)ethylcarbamoylamino]-3,3-dimethyl-5-oxopentanoic acid

C14H20N2O5 — CID 62933243

IUPAC5-[2-(furan-2-yl)ethylcarbamoylamino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NC(=O)NCCc1ccco1
InChIInChI=1S/C14H20N2O5/c1-14(2,9-12(18)19)8-11(17)16-13(20)15-6-5-10-4-3-7-21-10/h3-4,7H,5-6,8-9H2,1-2H3,(H,18,19)(H2,15,16,17,20)
InChIKeyBUALBJMSPORHJQ-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.54
Rot. Bonds7

About 5-[2-(furan-2-yl)ethylcarbamoylamino]-3,3-dimethyl-5-oxopentanoic acid

5-[2-(furan-2-yl)ethylcarbamoylamino]-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 62933243) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 5-[2-(furan-2-yl)ethylcarbamoylamino]-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-(furan-2-yl)ethylcarbamoylamino]-3,3-dimethyl-5-oxopentanoic acid
PubChem CID62933243
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name5-[2-(furan-2-yl)ethylcarbamoylamino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NC(=O)NCCc1ccco1
InChIInChI=1S/C14H20N2O5/c1-14(2,9-12(18)19)8-11(17)16-13(20)15-6-5-10-4-3-7-21-10/h3-4,7H,5-6,8-9H2,1-2H3,(H,18,19)(H2,15,16,17,20)
InChIKeyBUALBJMSPORHJQ-UHFFFAOYSA-N
XLogP1.54
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-(furan-2-yl)ethylcarbamoyl]acetamide
CID 61471395
4-[2-(furan-2-yl)ethylcarbamoylamino]-4-oxobut-2-enoic acid
CID 54954888
2-[2-(furan-2-yl)ethylcarbamoylamino]propanoic acid
CID 61471341
3,3-dimethyl-5-oxo-5-(pent-3-ynylcarbamoylamino)pentanoic acid
CID 116644377
2-[2-[2-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid
CID 79463732
5-[2-(furan-2-yl)ethylamino]-3-methyl-5-oxopentanoic acid
CID 55155984
3-(ethylamino)-N-[2-(furan-2-yl)ethyl]propanamide
CID 62831565
2-bromo-N-[2-(furan-2-yl)ethyl]acetamide
CID 63679731
3-[2-(furan-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 114897735
2-(ethylamino)-N-[2-(furan-2-yl)ethyl]-2-methylpropanamide
CID 62831566
N-[2-(furan-2-yl)ethyl]-2-methylprop-2-enamide
CID 178173949
2-amino-N-[2-(furan-2-yl)ethyl]butanamide
CID 43649605

Frequently Asked Questions

What is the IUPAC name of 5-[2-(furan-2-yl)ethylcarbamoylamino]-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[2-(furan-2-yl)ethylcarbamoylamino]-3,3-dimethyl-5-oxopentanoic acid (CID 62933243) is 5-[2-(furan-2-yl)ethylcarbamoylamino]-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-(furan-2-yl)ethylcarbamoylamino]-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[2-(furan-2-yl)ethylcarbamoylamino]-3,3-dimethyl-5-oxopentanoic acid is CC(C)(CC(=O)O)CC(=O)NC(=O)NCCc1ccco1.
What is the InChIKey of 5-[2-(furan-2-yl)ethylcarbamoylamino]-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is BUALBJMSPORHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-14(2,9-12(18)19)8-11(17)16-13(20)15-6-5-10-4-3-7-21-10/h3-4,7H,5-6,8-9H2,1-2H3,(H,18,19)(H2,15,16,17,20).
What are the key properties of 5-[2-(furan-2-yl)ethylcarbamoylamino]-3,3-dimethyl-5-oxopentanoic acid?
5-[2-(furan-2-yl)ethylcarbamoylamino]-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 296.32 g/mol, XLogP of 1.54, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(furan-2-yl)ethylcarbamoylamino]-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 62933243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).