2-[[2-(ethylamino)-2-methylpropanoyl]amino]butanoic acid

C10H20N2O3 — CID 62835349

IUPAC2-[[2-(ethylamino)-2-methylpropanoyl]amino]butanoic acid
SMILESCCNC(C)(C)C(=O)NC(CC)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-5-7(8(13)14)12-9(15)10(3,4)11-6-2/h7,11H,5-6H2,1-4H3,(H,12,15)(H,13,14)
InChIKeyZMIBKRZGQWOPJY-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.35
Rot. Bonds6

About 2-[[2-(ethylamino)-2-methylpropanoyl]amino]butanoic acid

2-[[2-(ethylamino)-2-methylpropanoyl]amino]butanoic acid (PubChem CID 62835349) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[[2-(ethylamino)-2-methylpropanoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[2-(ethylamino)-2-methylpropanoyl]amino]butanoic acid
PubChem CID62835349
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-[[2-(ethylamino)-2-methylpropanoyl]amino]butanoic acid
SMILESCCNC(C)(C)C(=O)NC(CC)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-5-7(8(13)14)12-9(15)10(3,4)11-6-2/h7,11H,5-6H2,1-4H3,(H,12,15)(H,13,14)
InChIKeyZMIBKRZGQWOPJY-UHFFFAOYSA-N
XLogP0.35
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(ethylamino)-2-methylpropanoyl]amino]-4-hydroxybutanoic acid
CID 62835355
(2S)-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 79006992
2-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-phenylpropanoic acid
CID 62836653
2-(ethylamino)-N-[(2R)-1-hydroxybutan-2-yl]-2-methylpropanamide
CID 107221411
(2R)-2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylacetic acid
CID 62836836
2-(ethylamino)-2-methyl-N-(3-methylbutan-2-yl)propanamide
CID 62833567
3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid
CID 62836702
N-(dicyclopropylmethyl)-2-(ethylamino)-2-methylpropanamide
CID 62836306
2-(ethylamino)-2-methyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]propanamide
CID 113407049
(2S)-2-[(2,2-difluoroacetyl)amino]butanoic acid
CID 103513419
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 2755934
2-(2,3,3-trimethylbutanoylamino)butanoic acid
CID 120687072

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)-2-methylpropanoyl]amino]butanoic acid?
The IUPAC name of 2-[[2-(ethylamino)-2-methylpropanoyl]amino]butanoic acid (CID 62835349) is 2-[[2-(ethylamino)-2-methylpropanoyl]amino]butanoic acid.
What is the SMILES notation for 2-[[2-(ethylamino)-2-methylpropanoyl]amino]butanoic acid?
The canonical SMILES for 2-[[2-(ethylamino)-2-methylpropanoyl]amino]butanoic acid is CCNC(C)(C)C(=O)NC(CC)C(=O)O.
What is the InChIKey of 2-[[2-(ethylamino)-2-methylpropanoyl]amino]butanoic acid?
The InChIKey is ZMIBKRZGQWOPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-5-7(8(13)14)12-9(15)10(3,4)11-6-2/h7,11H,5-6H2,1-4H3,(H,12,15)(H,13,14).
What are the key properties of 2-[[2-(ethylamino)-2-methylpropanoyl]amino]butanoic acid?
2-[[2-(ethylamino)-2-methylpropanoyl]amino]butanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)-2-methylpropanoyl]amino]butanoic acid is sourced from PubChem (CID 62835349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).