(2R)-2-[3-(ethylamino)propanoylamino]-3,3-dimethylbutanoic acid

C11H22N2O3 — CID 103927366

IUPAC(2R)-2-[3-(ethylamino)propanoylamino]-3,3-dimethylbutanoic acid
SMILESCCNCCC(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-5-12-7-6-8(14)13-9(10(15)16)11(2,3)4/h9,12H,5-7H2,1-4H3,(H,13,14)(H,15,16)/t9-/m0/s1
InChIKeyLXEXCUWCRZCLHK-VIFPVBQESA-N
MW230.31 g/mol
LogP0.60
Rot. Bonds6

About (2R)-2-[3-(ethylamino)propanoylamino]-3,3-dimethylbutanoic acid

(2R)-2-[3-(ethylamino)propanoylamino]-3,3-dimethylbutanoic acid (PubChem CID 103927366) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is (2R)-2-[3-(ethylamino)propanoylamino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-(ethylamino)propanoylamino]-3,3-dimethylbutanoic acid
PubChem CID103927366
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name(2R)-2-[3-(ethylamino)propanoylamino]-3,3-dimethylbutanoic acid
SMILESCCNCCC(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-5-12-7-6-8(14)13-9(10(15)16)11(2,3)4/h9,12H,5-7H2,1-4H3,(H,13,14)(H,15,16)/t9-/m0/s1
InChIKeyLXEXCUWCRZCLHK-VIFPVBQESA-N
XLogP0.60
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(tert-butylamino)propanoylamino]-3,3-dimethylbutanoic acid
CID 61161778
(2S)-2-(3-acetamidopropanoylamino)-3,3-dimethylbutanoic acid
CID 61144264
(2S)-2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-3,3-dimethylbutanoic acid
CID 61143118
3,3-dimethyl-2-[4-(methylamino)butanoylamino]butanoic acid
CID 61161007
2-(3-ethylsulfanylpropanoylamino)-3,3-dimethylbutanoic acid
CID 115730734
2-[(4-ethoxy-4-oxobutanoyl)amino]-3,3-dimethylbutanoic acid
CID 43467592
(2R)-3,3-dimethyl-2-(3-methylsulfonylpropanoylamino)butanoic acid
CID 93054880
(2S,3R)-2-[3-(ethylamino)propanoylamino]-3-hydroxybutanoic acid
CID 104965396
(2R)-3,3-dimethyl-2-(pent-4-enoylamino)butanoic acid
CID 103926333
(2S)-2-[3-(ethylamino)propanoylamino]pentanoic acid
CID 107565213
(2S)-2-[3-(ethylamino)butanoylamino]-3,3-dimethylbutanoic acid
CID 55121546
2-(ethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 43468018

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(ethylamino)propanoylamino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[3-(ethylamino)propanoylamino]-3,3-dimethylbutanoic acid (CID 103927366) is (2R)-2-[3-(ethylamino)propanoylamino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[3-(ethylamino)propanoylamino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[3-(ethylamino)propanoylamino]-3,3-dimethylbutanoic acid is CCNCCC(=O)N[C@@H](C(=O)O)C(C)(C)C.
What is the InChIKey of (2R)-2-[3-(ethylamino)propanoylamino]-3,3-dimethylbutanoic acid?
The InChIKey is LXEXCUWCRZCLHK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-12-7-6-8(14)13-9(10(15)16)11(2,3)4/h9,12H,5-7H2,1-4H3,(H,13,14)(H,15,16)/t9-/m0/s1.
What are the key properties of (2R)-2-[3-(ethylamino)propanoylamino]-3,3-dimethylbutanoic acid?
(2R)-2-[3-(ethylamino)propanoylamino]-3,3-dimethylbutanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(ethylamino)propanoylamino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 103927366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).