(2R)-2-(5-methoxypentylcarbamoylamino)-3,3-dimethylbutanoic acid

C13H26N2O4 — CID 114131664

IUPAC(2R)-2-(5-methoxypentylcarbamoylamino)-3,3-dimethylbutanoic acid
SMILESCOCCCCCNC(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C13H26N2O4/c1-13(2,3)10(11(16)17)15-12(18)14-8-6-5-7-9-19-4/h10H,5-9H2,1-4H3,(H,16,17)(H2,14,15,18)/t10-/m0/s1
InChIKeyNAAHVPXNWJIENO-JTQLQIEISA-N
MW274.36 g/mol
LogP1.60
Rot. Bonds8

About (2R)-2-(5-methoxypentylcarbamoylamino)-3,3-dimethylbutanoic acid

(2R)-2-(5-methoxypentylcarbamoylamino)-3,3-dimethylbutanoic acid (PubChem CID 114131664) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is (2R)-2-(5-methoxypentylcarbamoylamino)-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-(5-methoxypentylcarbamoylamino)-3,3-dimethylbutanoic acid
PubChem CID114131664
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name(2R)-2-(5-methoxypentylcarbamoylamino)-3,3-dimethylbutanoic acid
SMILESCOCCCCCNC(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C13H26N2O4/c1-13(2,3)10(11(16)17)15-12(18)14-8-6-5-7-9-19-4/h10H,5-9H2,1-4H3,(H,16,17)(H2,14,15,18)/t10-/m0/s1
InChIKeyNAAHVPXNWJIENO-JTQLQIEISA-N
XLogP1.60
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2-(5-methoxypentylcarbamoylamino)-3,3-dimethylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[4-(2-methoxyethoxy)butylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 104860994
(2R)-2-[2-(2-methoxyethoxy)ethylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 103927895
(2R)-2-(3-ethoxypropylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 113353155
(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
(2R)-2-(4-methoxybutylcarbamoylamino)-3-methylbutanoic acid
CID 79009826
(2S)-3,3-dimethyl-2-[3-(2-methylpropoxy)propylcarbamoylamino]butanoic acid
CID 103994527
2-(5-methoxypentylcarbamoylamino)pentanoic acid
CID 113363777
(2R)-2-(2-aminoethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 103927689
(2R)-2-(3-methoxypropylcarbamoylamino)-3-methylbutanoic acid
CID 79009625
(2S)-4-hydroxy-2-(4-methoxybutylcarbamoylamino)butanoic acid
CID 107827216

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-methoxypentylcarbamoylamino)-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-(5-methoxypentylcarbamoylamino)-3,3-dimethylbutanoic acid (CID 114131664) is (2R)-2-(5-methoxypentylcarbamoylamino)-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-(5-methoxypentylcarbamoylamino)-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-(5-methoxypentylcarbamoylamino)-3,3-dimethylbutanoic acid is COCCCCCNC(=O)N[C@@H](C(=O)O)C(C)(C)C.
What is the InChIKey of (2R)-2-(5-methoxypentylcarbamoylamino)-3,3-dimethylbutanoic acid?
The InChIKey is NAAHVPXNWJIENO-JTQLQIEISA-N. The full InChI is InChI=1S/C13H26N2O4/c1-13(2,3)10(11(16)17)15-12(18)14-8-6-5-7-9-19-4/h10H,5-9H2,1-4H3,(H,16,17)(H2,14,15,18)/t10-/m0/s1.
What are the key properties of (2R)-2-(5-methoxypentylcarbamoylamino)-3,3-dimethylbutanoic acid?
(2R)-2-(5-methoxypentylcarbamoylamino)-3,3-dimethylbutanoic acid has a molecular weight of 274.36 g/mol, XLogP of 1.60, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-methoxypentylcarbamoylamino)-3,3-dimethylbutanoic acid is sourced from PubChem (CID 114131664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).