(2R)-2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-4-hydroxybutanoic acid

C11H22N2O4 — CID 107825290

IUPAC(2R)-2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-4-hydroxybutanoic acid
SMILESCCC(CC)(CN)C(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-3-11(4-2,7-12)10(17)13-8(5-6-14)9(15)16/h8,14H,3-7,12H2,1-2H3,(H,13,17)(H,15,16)/t8-/m1/s1
InChIKeyVUWCWBPYEJNDGX-MRVPVSSYSA-N
MW246.31 g/mol
LogP-0.30
Rot. Bonds8

About (2R)-2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-4-hydroxybutanoic acid

(2R)-2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-4-hydroxybutanoic acid (PubChem CID 107825290) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is (2R)-2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-4-hydroxybutanoic acid
PubChem CID107825290
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name(2R)-2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-4-hydroxybutanoic acid
SMILESCCC(CC)(CN)C(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-3-11(4-2,7-12)10(17)13-8(5-6-14)9(15)16/h8,14H,3-7,12H2,1-2H3,(H,13,17)(H,15,16)/t8-/m1/s1
InChIKeyVUWCWBPYEJNDGX-MRVPVSSYSA-N
XLogP-0.30
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107824456
2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-5-methoxypentanoic acid
CID 115432700
2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-3-phenylpropanoic acid
CID 115432257
2-[(2,2-diethyl-4-hydroxybutanoyl)amino]-4-methylsulfanylbutanoic acid
CID 145216471
2-[[2-(ethylamino)-2-methylpropanoyl]amino]-4-hydroxybutanoic acid
CID 62835355
(2S)-2-(2,2-difluorodecanoylamino)-4-hydroxybutanoic acid
CID 54143537
(2S)-4-hydroxy-2-(3-methylpentan-3-ylcarbamoylamino)butanoic acid
CID 106330722
2-[(2-aminoacetyl)amino]-4-hydroxybutanoic acid
CID 61244410
2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 107864266
(2S)-2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 107827322
(2S)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-4-hydroxybutanoic acid
CID 107824979
(2R)-2-[[(2R)-2-aminobutanoyl]amino]-4-hydroxybutanoic acid
CID 107825073

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-4-hydroxybutanoic acid (CID 107825290) is (2R)-2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-4-hydroxybutanoic acid is CCC(CC)(CN)C(=O)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-4-hydroxybutanoic acid?
The InChIKey is VUWCWBPYEJNDGX-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-3-11(4-2,7-12)10(17)13-8(5-6-14)9(15)16/h8,14H,3-7,12H2,1-2H3,(H,13,17)(H,15,16)/t8-/m1/s1.
What are the key properties of (2R)-2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-4-hydroxybutanoic acid?
(2R)-2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-4-hydroxybutanoic acid has a molecular weight of 246.31 g/mol, XLogP of -0.30, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107825290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).