2-(3-butoxypropylcarbamoylamino)-2-methylpentanoic acid

C14H28N2O4 — CID 103994211

IUPAC2-(3-butoxypropylcarbamoylamino)-2-methylpentanoic acid
SMILESCCCCOCCCNC(=O)NC(C)(CCC)C(=O)O
InChIInChI=1S/C14H28N2O4/c1-4-6-10-20-11-7-9-15-13(19)16-14(3,8-5-2)12(17)18/h4-11H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyBJVFPBUBCFBAEP-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.14
Rot. Bonds11

About 2-(3-butoxypropylcarbamoylamino)-2-methylpentanoic acid

2-(3-butoxypropylcarbamoylamino)-2-methylpentanoic acid (PubChem CID 103994211) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(3-butoxypropylcarbamoylamino)-2-methylpentanoic acid.

Molecular Properties

Compound Name2-(3-butoxypropylcarbamoylamino)-2-methylpentanoic acid
PubChem CID103994211
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-(3-butoxypropylcarbamoylamino)-2-methylpentanoic acid
SMILESCCCCOCCCNC(=O)NC(C)(CCC)C(=O)O
InChIInChI=1S/C14H28N2O4/c1-4-6-10-20-11-7-9-15-13(19)16-14(3,8-5-2)12(17)18/h4-11H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyBJVFPBUBCFBAEP-UHFFFAOYSA-N
XLogP2.14
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-butoxypropylcarbamoylamino)-2-methylpentanoic 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

2-(3-ethoxypropylcarbamoylamino)-2-methylpentanoic acid
CID 61190758
2-(butylcarbamoylamino)-2-methylpentanoic acid
CID 43619164
3-(3-butoxypropylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 113481168
3,3,3-trifluoro-2-methyl-2-(3-propoxypropylcarbamoylamino)propanoic acid
CID 82944077
2-[[4-(cyclopropylamino)-4-oxobutyl]carbamoylamino]-2-methylpentanoic acid
CID 79380842
2-methyl-2-(nonylcarbamoylamino)butanoic acid
CID 43129072
2-(decylcarbamoylamino)-2-methylbutanoic acid
CID 63481197
2-(2-butoxyethylcarbamoylamino)-2-cyclopropylpropanoic acid
CID 61482880
2-methyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]pentanoic acid
CID 63244361
2-[2-(3-methoxypropoxy)ethylamino]-2-methylpentanoic acid
CID 103181243
2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pentanoic acid
CID 79350072
2-methyl-2-(3-propoxypropanoylamino)pentanoic acid
CID 55104107

Frequently Asked Questions

What is the IUPAC name of 2-(3-butoxypropylcarbamoylamino)-2-methylpentanoic acid?
The IUPAC name of 2-(3-butoxypropylcarbamoylamino)-2-methylpentanoic acid (CID 103994211) is 2-(3-butoxypropylcarbamoylamino)-2-methylpentanoic acid.
What is the SMILES notation for 2-(3-butoxypropylcarbamoylamino)-2-methylpentanoic acid?
The canonical SMILES for 2-(3-butoxypropylcarbamoylamino)-2-methylpentanoic acid is CCCCOCCCNC(=O)NC(C)(CCC)C(=O)O.
What is the InChIKey of 2-(3-butoxypropylcarbamoylamino)-2-methylpentanoic acid?
The InChIKey is BJVFPBUBCFBAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-4-6-10-20-11-7-9-15-13(19)16-14(3,8-5-2)12(17)18/h4-11H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-(3-butoxypropylcarbamoylamino)-2-methylpentanoic acid?
2-(3-butoxypropylcarbamoylamino)-2-methylpentanoic acid has a molecular weight of 288.39 g/mol, XLogP of 2.14, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butoxypropylcarbamoylamino)-2-methylpentanoic acid is sourced from PubChem (CID 103994211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).