(2R)-2-[2-(2-methoxyethoxy)ethylcarbamoylamino]-3,3-dimethylbutanoic acid

C12H24N2O5 — CID 103927895

IUPAC(2R)-2-[2-(2-methoxyethoxy)ethylcarbamoylamino]-3,3-dimethylbutanoic acid
SMILESCOCCOCCNC(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C12H24N2O5/c1-12(2,3)9(10(15)16)14-11(17)13-5-6-19-8-7-18-4/h9H,5-8H2,1-4H3,(H,15,16)(H2,13,14,17)/t9-/m0/s1
InChIKeyLSHNBVCHHDZTLG-VIFPVBQESA-N
MW276.33 g/mol
LogP0.45
Rot. Bonds8

About (2R)-2-[2-(2-methoxyethoxy)ethylcarbamoylamino]-3,3-dimethylbutanoic acid

(2R)-2-[2-(2-methoxyethoxy)ethylcarbamoylamino]-3,3-dimethylbutanoic acid (PubChem CID 103927895) has the molecular formula C12H24N2O5 and a molecular weight of 276.33 g/mol. Its IUPAC name is (2R)-2-[2-(2-methoxyethoxy)ethylcarbamoylamino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-(2-methoxyethoxy)ethylcarbamoylamino]-3,3-dimethylbutanoic acid
PubChem CID103927895
Molecular FormulaC12H24N2O5
Molecular Weight276.33 g/mol
Exact Mass276.17
IUPAC Name(2R)-2-[2-(2-methoxyethoxy)ethylcarbamoylamino]-3,3-dimethylbutanoic acid
SMILESCOCCOCCNC(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C12H24N2O5/c1-12(2,3)9(10(15)16)14-11(17)13-5-6-19-8-7-18-4/h9H,5-8H2,1-4H3,(H,15,16)(H2,13,14,17)/t9-/m0/s1
InChIKeyLSHNBVCHHDZTLG-VIFPVBQESA-N
XLogP0.45
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[4-(2-methoxyethoxy)butylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 104860994
(2R)-2-(5-methoxypentylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 114131664
(2R)-2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 103927982
(2R)-2-(3-ethoxypropylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 113353155
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-ylurea
CID 176960300
(2R)-2-(2-aminoethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 103927689
(2S)-3,3-dimethyl-2-[3-(2-methylpropoxy)propylcarbamoylamino]butanoic acid
CID 103994527
(2R)-3,3-dimethyl-2-(3-methylbutylcarbamoylamino)butanoic acid
CID 103927496
(2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 103928257
2-hydroxy-3-[2-(2-methoxyethoxy)ethylcarbamoylamino]-2-methylpropanoic acid
CID 66175532
2-[2-(3-methoxypropoxy)ethylcarbamoylamino]-3-methylbutanoic acid
CID 103178187
2-(ethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 43468018

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(2-methoxyethoxy)ethylcarbamoylamino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[2-(2-methoxyethoxy)ethylcarbamoylamino]-3,3-dimethylbutanoic acid (CID 103927895) is (2R)-2-[2-(2-methoxyethoxy)ethylcarbamoylamino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[2-(2-methoxyethoxy)ethylcarbamoylamino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[2-(2-methoxyethoxy)ethylcarbamoylamino]-3,3-dimethylbutanoic acid is COCCOCCNC(=O)N[C@@H](C(=O)O)C(C)(C)C.
What is the InChIKey of (2R)-2-[2-(2-methoxyethoxy)ethylcarbamoylamino]-3,3-dimethylbutanoic acid?
The InChIKey is LSHNBVCHHDZTLG-VIFPVBQESA-N. The full InChI is InChI=1S/C12H24N2O5/c1-12(2,3)9(10(15)16)14-11(17)13-5-6-19-8-7-18-4/h9H,5-8H2,1-4H3,(H,15,16)(H2,13,14,17)/t9-/m0/s1.
What are the key properties of (2R)-2-[2-(2-methoxyethoxy)ethylcarbamoylamino]-3,3-dimethylbutanoic acid?
(2R)-2-[2-(2-methoxyethoxy)ethylcarbamoylamino]-3,3-dimethylbutanoic acid has a molecular weight of 276.33 g/mol, XLogP of 0.45, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(2-methoxyethoxy)ethylcarbamoylamino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 103927895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).