3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid

C12H24N2O5 — CID 62668666

IUPAC3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCOCCCN(CCOC)C(=O)NCC(C)C(=O)O
InChIInChI=1S/C12H24N2O5/c1-10(11(15)16)9-13-12(17)14(6-8-19-3)5-4-7-18-2/h10H,4-9H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyFIEBJQPTBGRAQZ-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.40
Rot. Bonds10

About 3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid

3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 62668666) has the molecular formula C12H24N2O5 and a molecular weight of 276.33 g/mol. Its IUPAC name is 3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid
PubChem CID62668666
Molecular FormulaC12H24N2O5
Molecular Weight276.33 g/mol
Exact Mass276.17
IUPAC Name3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCOCCCN(CCOC)C(=O)NCC(C)C(=O)O
InChIInChI=1S/C12H24N2O5/c1-10(11(15)16)9-13-12(17)14(6-8-19-3)5-4-7-18-2/h10H,4-9H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyFIEBJQPTBGRAQZ-UHFFFAOYSA-N
XLogP0.40
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[bis(2-ethoxyethyl)carbamoylamino]-2-methylpropanoic acid
CID 82960063
3-(dipropylcarbamoylamino)-2-methylpropanoic acid
CID 62668824
3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methyl-3-oxopropanoic acid
CID 114896858
4-[bis(2-methoxyethyl)carbamoylamino]-3-methoxybutanoic acid
CID 103158774
2-[2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463155
3-ethyl-1,1-bis(2-methoxyethyl)urea
CID 108890462
3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62668669
3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-methylpropanoic acid
CID 62670484
3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-methylpropanoic acid
CID 55105126
(2R)-2-[bis(2-methoxyethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80755955
(2S)-2-hydroxy-3-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid
CID 107839821
4-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-4-oxobut-2-enoic acid
CID 76910282

Frequently Asked Questions

What is the IUPAC name of 3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid (CID 62668666) is 3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid is COCCCN(CCOC)C(=O)NCC(C)C(=O)O.
What is the InChIKey of 3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is FIEBJQPTBGRAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5/c1-10(11(15)16)9-13-12(17)14(6-8-19-3)5-4-7-18-2/h10H,4-9H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid?
3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 276.33 g/mol, XLogP of 0.40, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62668666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).