3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid

C11H22N2O4 — CID 62668669

IUPAC3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)NCC(C)C(=O)O)C(C)COC
InChIInChI=1S/C11H22N2O4/c1-5-13(9(3)7-17-4)11(16)12-6-8(2)10(14)15/h8-9H,5-7H2,1-4H3,(H,12,16)(H,14,15)
InChIKeyHQDGJHZYEMLZNK-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.77
Rot. Bonds7

About 3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid

3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 62668669) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
PubChem CID62668669
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)NCC(C)C(=O)O)C(C)COC
InChIInChI=1S/C11H22N2O4/c1-5-13(9(3)7-17-4)11(16)12-6-8(2)10(14)15/h8-9H,5-7H2,1-4H3,(H,12,16)(H,14,15)
InChIKeyHQDGJHZYEMLZNK-UHFFFAOYSA-N
XLogP0.77
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-4-methoxybutanoic acid
CID 62472882
2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 55009512
5-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686485
3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62668666
3-[bis(2-ethoxyethyl)carbamoylamino]-2-methylpropanoic acid
CID 82960063
3-(dipropylcarbamoylamino)-2-methylpropanoic acid
CID 62668824
ethyl (2S)-3-[[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoate
CID 97334966
2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpentanoic acid
CID 55009806
3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid
CID 43538400
3-[(2-methoxyacetyl)amino]-2-methylpropanoic acid
CID 62676002
4-[ethyl(1-methoxypropan-2-yl)amino]-4-oxobutanoic acid
CID 60949028
3-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 103103591

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid (CID 62668669) is 3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid is CCN(C(=O)NCC(C)C(=O)O)C(C)COC.
What is the InChIKey of 3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is HQDGJHZYEMLZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-5-13(9(3)7-17-4)11(16)12-6-8(2)10(14)15/h8-9H,5-7H2,1-4H3,(H,12,16)(H,14,15).
What are the key properties of 3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid?
3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 246.31 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62668669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).