(2R)-2-[4-(2-methoxyethoxy)butylcarbamoylamino]-3,3-dimethylbutanoic acid

C14H28N2O5 — CID 104860994

IUPAC(2R)-2-[4-(2-methoxyethoxy)butylcarbamoylamino]-3,3-dimethylbutanoic acid
SMILESCOCCOCCCCNC(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C14H28N2O5/c1-14(2,3)11(12(17)18)16-13(19)15-7-5-6-8-21-10-9-20-4/h11H,5-10H2,1-4H3,(H,17,18)(H2,15,16,19)/t11-/m0/s1
InChIKeyPHPOIBOYUMXSRE-NSHDSACASA-N
MW304.39 g/mol
LogP1.23
Rot. Bonds10

About (2R)-2-[4-(2-methoxyethoxy)butylcarbamoylamino]-3,3-dimethylbutanoic acid

(2R)-2-[4-(2-methoxyethoxy)butylcarbamoylamino]-3,3-dimethylbutanoic acid (PubChem CID 104860994) has the molecular formula C14H28N2O5 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2R)-2-[4-(2-methoxyethoxy)butylcarbamoylamino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[4-(2-methoxyethoxy)butylcarbamoylamino]-3,3-dimethylbutanoic acid
PubChem CID104860994
Molecular FormulaC14H28N2O5
Molecular Weight304.39 g/mol
Exact Mass304.20
IUPAC Name(2R)-2-[4-(2-methoxyethoxy)butylcarbamoylamino]-3,3-dimethylbutanoic acid
SMILESCOCCOCCCCNC(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C14H28N2O5/c1-14(2,3)11(12(17)18)16-13(19)15-7-5-6-8-21-10-9-20-4/h11H,5-10H2,1-4H3,(H,17,18)(H2,15,16,19)/t11-/m0/s1
InChIKeyPHPOIBOYUMXSRE-NSHDSACASA-N
XLogP1.23
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.23
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-(5-methoxypentylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 114131664
(2R)-2-[2-(2-methoxyethoxy)ethylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 103927895
(2R)-2-(3-ethoxypropylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 113353155
(2S)-3,3-dimethyl-2-[3-(2-methylpropoxy)propylcarbamoylamino]butanoic acid
CID 103994527
(2R)-2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 103927982
(2S)-2-[(5-amino-5-oxopentyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 114162518
(2R)-3,3-dimethyl-2-(5-methylhexylcarbamoylamino)butanoic acid
CID 103928213
(2S)-2-hydroxy-3-[4-(2-methoxyethoxy)butylcarbamoylamino]propanoic acid
CID 107841009
(2R)-2-(4-methoxybutylcarbamoylamino)-3-methylbutanoic acid
CID 79009826
(2S)-2-(3-cyclopentylpropylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 103995487
(2R)-2-(2-aminoethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 103927689
tert-butyl N-[4-(2-methoxyethoxy)butyl]carbamate
CID 58725633

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-methoxyethoxy)butylcarbamoylamino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[4-(2-methoxyethoxy)butylcarbamoylamino]-3,3-dimethylbutanoic acid (CID 104860994) is (2R)-2-[4-(2-methoxyethoxy)butylcarbamoylamino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[4-(2-methoxyethoxy)butylcarbamoylamino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[4-(2-methoxyethoxy)butylcarbamoylamino]-3,3-dimethylbutanoic acid is COCCOCCCCNC(=O)N[C@@H](C(=O)O)C(C)(C)C.
What is the InChIKey of (2R)-2-[4-(2-methoxyethoxy)butylcarbamoylamino]-3,3-dimethylbutanoic acid?
The InChIKey is PHPOIBOYUMXSRE-NSHDSACASA-N. The full InChI is InChI=1S/C14H28N2O5/c1-14(2,3)11(12(17)18)16-13(19)15-7-5-6-8-21-10-9-20-4/h11H,5-10H2,1-4H3,(H,17,18)(H2,15,16,19)/t11-/m0/s1.
What are the key properties of (2R)-2-[4-(2-methoxyethoxy)butylcarbamoylamino]-3,3-dimethylbutanoic acid?
(2R)-2-[4-(2-methoxyethoxy)butylcarbamoylamino]-3,3-dimethylbutanoic acid has a molecular weight of 304.39 g/mol, XLogP of 1.23, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2-methoxyethoxy)butylcarbamoylamino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 104860994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).