2-[[3-(ethylamino)-2-methylpropanoyl]amino]pentanoic acid

C11H22N2O3 — CID 62837131

IUPAC2-[[3-(ethylamino)-2-methylpropanoyl]amino]pentanoic acid
SMILESCCCC(NC(=O)C(C)CNCC)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-6-9(11(15)16)13-10(14)8(3)7-12-5-2/h8-9,12H,4-7H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyZXXUUGSFHUWSPO-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.60
Rot. Bonds8

About 2-[[3-(ethylamino)-2-methylpropanoyl]amino]pentanoic acid

2-[[3-(ethylamino)-2-methylpropanoyl]amino]pentanoic acid (PubChem CID 62837131) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[[3-(ethylamino)-2-methylpropanoyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[3-(ethylamino)-2-methylpropanoyl]amino]pentanoic acid
PubChem CID62837131
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[[3-(ethylamino)-2-methylpropanoyl]amino]pentanoic acid
SMILESCCCC(NC(=O)C(C)CNCC)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-6-9(11(15)16)13-10(14)8(3)7-12-5-2/h8-9,12H,4-7H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyZXXUUGSFHUWSPO-UHFFFAOYSA-N
XLogP0.60
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
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

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Related Compounds

5-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-5-oxopentanoic acid
CID 62838558
4-hydroxy-2-(2-methylpentanoylamino)butanoic acid
CID 61243280
4-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-oxobutanoic acid
CID 55123175
(2S)-2-[(4-amino-2-methylbutanoyl)amino]pentanoic acid
CID 107565180
(2S)-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63307482
(2R)-2-(2,3-dimethylbutanoylamino)pentanoic acid
CID 107563339
(2S)-3-hydroxy-2-(2-methylpentanoylamino)propanoic acid
CID 61151739
3-(ethylamino)-2-methyl-N-propan-2-ylpropanamide
CID 62853402
(2R)-2-[2-(methylamino)propanoylamino]pentanoic acid
CID 107564986
4-methyl-2-(2-methylpentanoylamino)pentanoic acid
CID 43209722
4-methoxy-2-(2-methylpentanoylamino)butanoic acid
CID 62478938
2-(2-cyclopropylpropanoylamino)pentanoic acid
CID 83147334

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(ethylamino)-2-methylpropanoyl]amino]pentanoic acid?
The IUPAC name of 2-[[3-(ethylamino)-2-methylpropanoyl]amino]pentanoic acid (CID 62837131) is 2-[[3-(ethylamino)-2-methylpropanoyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[3-(ethylamino)-2-methylpropanoyl]amino]pentanoic acid?
The canonical SMILES for 2-[[3-(ethylamino)-2-methylpropanoyl]amino]pentanoic acid is CCCC(NC(=O)C(C)CNCC)C(=O)O.
What is the InChIKey of 2-[[3-(ethylamino)-2-methylpropanoyl]amino]pentanoic acid?
The InChIKey is ZXXUUGSFHUWSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-6-9(11(15)16)13-10(14)8(3)7-12-5-2/h8-9,12H,4-7H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 2-[[3-(ethylamino)-2-methylpropanoyl]amino]pentanoic acid?
2-[[3-(ethylamino)-2-methylpropanoyl]amino]pentanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.60, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(ethylamino)-2-methylpropanoyl]amino]pentanoic acid is sourced from PubChem (CID 62837131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).