5-(diethylcarbamoylamino)-4-methylpentanoic acid

C11H22N2O3 — CID 82684112

IUPAC5-(diethylcarbamoylamino)-4-methylpentanoic acid
SMILESCCN(CC)C(=O)NCC(C)CCC(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-13(5-2)11(16)12-8-9(3)6-7-10(14)15/h9H,4-8H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyHZKURBQWJHMUHQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.54
Rot. Bonds7

About 5-(diethylcarbamoylamino)-4-methylpentanoic acid

5-(diethylcarbamoylamino)-4-methylpentanoic acid (PubChem CID 82684112) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-(diethylcarbamoylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name5-(diethylcarbamoylamino)-4-methylpentanoic acid
PubChem CID82684112
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name5-(diethylcarbamoylamino)-4-methylpentanoic acid
SMILESCCN(CC)C(=O)NCC(C)CCC(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-13(5-2)11(16)12-8-9(3)6-7-10(14)15/h9H,4-8H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyHZKURBQWJHMUHQ-UHFFFAOYSA-N
XLogP1.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-methylpentanoic acid
CID 82689316
5-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid
CID 82013638
1,1-diethyl-3-(4-hydroxy-2-methylpentyl)urea
CID 71911296
1,1-diethyl-3-[(2R,4S)-4-hydroxy-2-methylpentyl]urea
CID 97099381
3-(3-amino-2-methylpropyl)-1,1-diethylurea
CID 79154789
5-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 82687737
4-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid
CID 81069914
5-[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 82013488
5-(2-ethylbutanoylamino)-4-methylpentanoic acid
CID 82010608
1,1-diethyl-3-[(2R)-2-hydroxypropyl]urea
CID 83030843
4-methyl-5-[[methyl(prop-2-ynyl)carbamoyl]amino]pentanoic acid
CID 82014438
5-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 82013804

Frequently Asked Questions

What is the IUPAC name of 5-(diethylcarbamoylamino)-4-methylpentanoic acid?
The IUPAC name of 5-(diethylcarbamoylamino)-4-methylpentanoic acid (CID 82684112) is 5-(diethylcarbamoylamino)-4-methylpentanoic acid.
What is the SMILES notation for 5-(diethylcarbamoylamino)-4-methylpentanoic acid?
The canonical SMILES for 5-(diethylcarbamoylamino)-4-methylpentanoic acid is CCN(CC)C(=O)NCC(C)CCC(=O)O.
What is the InChIKey of 5-(diethylcarbamoylamino)-4-methylpentanoic acid?
The InChIKey is HZKURBQWJHMUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-13(5-2)11(16)12-8-9(3)6-7-10(14)15/h9H,4-8H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 5-(diethylcarbamoylamino)-4-methylpentanoic acid?
5-(diethylcarbamoylamino)-4-methylpentanoic acid has a molecular weight of 230.31 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylcarbamoylamino)-4-methylpentanoic acid is sourced from PubChem (CID 82684112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).