5-[(3-ethoxy-3-oxopropyl)carbamoylamino]-3-methyl-5-oxopentanoic acid

C12H20N2O6 — CID 62965871

IUPAC5-[(3-ethoxy-3-oxopropyl)carbamoylamino]-3-methyl-5-oxopentanoic acid
SMILESCCOC(=O)CCNC(=O)NC(=O)CC(C)CC(=O)O
InChIInChI=1S/C12H20N2O6/c1-3-20-11(18)4-5-13-12(19)14-9(15)6-8(2)7-10(16)17/h8H,3-7H2,1-2H3,(H,16,17)(H2,13,14,15,19)
InChIKeyNRBGGAPFAXFEHU-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.27
Rot. Bonds8

About 5-[(3-ethoxy-3-oxopropyl)carbamoylamino]-3-methyl-5-oxopentanoic acid

5-[(3-ethoxy-3-oxopropyl)carbamoylamino]-3-methyl-5-oxopentanoic acid (PubChem CID 62965871) has the molecular formula C12H20N2O6 and a molecular weight of 288.30 g/mol. Its IUPAC name is 5-[(3-ethoxy-3-oxopropyl)carbamoylamino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(3-ethoxy-3-oxopropyl)carbamoylamino]-3-methyl-5-oxopentanoic acid
PubChem CID62965871
Molecular FormulaC12H20N2O6
Molecular Weight288.30 g/mol
Exact Mass288.13
IUPAC Name5-[(3-ethoxy-3-oxopropyl)carbamoylamino]-3-methyl-5-oxopentanoic acid
SMILESCCOC(=O)CCNC(=O)NC(=O)CC(C)CC(=O)O
InChIInChI=1S/C12H20N2O6/c1-3-20-11(18)4-5-13-12(19)14-9(15)6-8(2)7-10(16)17/h8H,3-7H2,1-2H3,(H,16,17)(H2,13,14,15,19)
InChIKeyNRBGGAPFAXFEHU-UHFFFAOYSA-N
XLogP0.27
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-ethoxy-3-oxopropyl)carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65301989
3-methyl-5-oxo-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid
CID 62965170
5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 62965168
3-methyl-5-oxo-5-(pent-4-ynylcarbamoylamino)pentanoic acid
CID 106222413
5-(1-ethoxypropan-2-ylcarbamoylamino)-3-methyl-5-oxopentanoic acid
CID 62964497
ethyl 3-[(5-amino-4-methylpentanoyl)amino]propanoate
CID 82011532
ethyl 3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]propanoate
CID 62625377
3-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid
CID 61499075
2-[[(3-ethoxy-3-oxopropyl)carbamoylamino]methyl]butanoic acid
CID 65221683
3-methyl-5-oxo-5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pentanoic acid
CID 79360156
3-[(2-ethoxy-2-oxoethyl)carbamoylamino]propanoic acid
CID 14949744
ethyl 3-[(3-amino-2-methylpropanoyl)amino]propanoate
CID 62668583

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxy-3-oxopropyl)carbamoylamino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[(3-ethoxy-3-oxopropyl)carbamoylamino]-3-methyl-5-oxopentanoic acid (CID 62965871) is 5-[(3-ethoxy-3-oxopropyl)carbamoylamino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[(3-ethoxy-3-oxopropyl)carbamoylamino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[(3-ethoxy-3-oxopropyl)carbamoylamino]-3-methyl-5-oxopentanoic acid is CCOC(=O)CCNC(=O)NC(=O)CC(C)CC(=O)O.
What is the InChIKey of 5-[(3-ethoxy-3-oxopropyl)carbamoylamino]-3-methyl-5-oxopentanoic acid?
The InChIKey is NRBGGAPFAXFEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O6/c1-3-20-11(18)4-5-13-12(19)14-9(15)6-8(2)7-10(16)17/h8H,3-7H2,1-2H3,(H,16,17)(H2,13,14,15,19).
What are the key properties of 5-[(3-ethoxy-3-oxopropyl)carbamoylamino]-3-methyl-5-oxopentanoic acid?
5-[(3-ethoxy-3-oxopropyl)carbamoylamino]-3-methyl-5-oxopentanoic acid has a molecular weight of 288.30 g/mol, XLogP of 0.27, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxy-3-oxopropyl)carbamoylamino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62965871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).