5-(1-ethoxypropan-2-ylcarbamoylamino)-3-methyl-5-oxopentanoic acid

C12H22N2O5 — CID 62964497

IUPAC5-(1-ethoxypropan-2-ylcarbamoylamino)-3-methyl-5-oxopentanoic acid
SMILESCCOCC(C)NC(=O)NC(=O)CC(C)CC(=O)O
InChIInChI=1S/C12H22N2O5/c1-4-19-7-9(3)13-12(18)14-10(15)5-8(2)6-11(16)17/h8-9H,4-7H2,1-3H3,(H,16,17)(H2,13,14,15,18)
InChIKeyPLSIFYVLWPWOAC-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.74
Rot. Bonds8

About 5-(1-ethoxypropan-2-ylcarbamoylamino)-3-methyl-5-oxopentanoic acid

5-(1-ethoxypropan-2-ylcarbamoylamino)-3-methyl-5-oxopentanoic acid (PubChem CID 62964497) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-(1-ethoxypropan-2-ylcarbamoylamino)-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(1-ethoxypropan-2-ylcarbamoylamino)-3-methyl-5-oxopentanoic acid
PubChem CID62964497
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name5-(1-ethoxypropan-2-ylcarbamoylamino)-3-methyl-5-oxopentanoic acid
SMILESCCOCC(C)NC(=O)NC(=O)CC(C)CC(=O)O
InChIInChI=1S/C12H22N2O5/c1-4-19-7-9(3)13-12(18)14-10(15)5-8(2)6-11(16)17/h8-9H,4-7H2,1-3H3,(H,16,17)(H2,13,14,15,18)
InChIKeyPLSIFYVLWPWOAC-UHFFFAOYSA-N
XLogP0.74
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-ethoxypropan-2-ylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65301594
(3S)-4-ethoxy-3-methylbutanoic acid
CID 59960254
4-amino-N-(1-ethoxypropan-2-yl)-3-methylbutanamide
CID 81087723
5-[(3-ethoxy-3-oxopropyl)carbamoylamino]-3-methyl-5-oxopentanoic acid
CID 62965871
2-(1-ethoxypropan-2-ylcarbamoylamino)-2-ethylbutanoic acid
CID 79804072
3-methyl-5-oxo-5-[[3-oxo-3-(propylamino)propyl]carbamoylamino]pentanoic acid
CID 62965171
ethane;N-(1-ethoxypropan-2-yl)acetamide;methanol
CID 156707108
1-(1-ethoxypropan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115592823
2-[2-[(1-ethoxypropan-2-ylcarbamoylamino)methyl]phenyl]acetic acid
CID 81311152
(2R)-2-amino-N-(1-ethoxypropan-2-yl)propanamide
CID 78977149
3-methyl-5-oxo-5-(1-thiophen-2-ylpropylcarbamoylamino)pentanoic acid
CID 62963797
3-methyl-5-oxo-5-(pentan-3-ylamino)pentanoic acid
CID 62966244

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethoxypropan-2-ylcarbamoylamino)-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-(1-ethoxypropan-2-ylcarbamoylamino)-3-methyl-5-oxopentanoic acid (CID 62964497) is 5-(1-ethoxypropan-2-ylcarbamoylamino)-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(1-ethoxypropan-2-ylcarbamoylamino)-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-(1-ethoxypropan-2-ylcarbamoylamino)-3-methyl-5-oxopentanoic acid is CCOCC(C)NC(=O)NC(=O)CC(C)CC(=O)O.
What is the InChIKey of 5-(1-ethoxypropan-2-ylcarbamoylamino)-3-methyl-5-oxopentanoic acid?
The InChIKey is PLSIFYVLWPWOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-4-19-7-9(3)13-12(18)14-10(15)5-8(2)6-11(16)17/h8-9H,4-7H2,1-3H3,(H,16,17)(H2,13,14,15,18).
What are the key properties of 5-(1-ethoxypropan-2-ylcarbamoylamino)-3-methyl-5-oxopentanoic acid?
5-(1-ethoxypropan-2-ylcarbamoylamino)-3-methyl-5-oxopentanoic acid has a molecular weight of 274.32 g/mol, XLogP of 0.74, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethoxypropan-2-ylcarbamoylamino)-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62964497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).