(2R)-2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid

C13H24N2O5 — CID 107824456

IUPAC(2R)-2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
SMILESCCC(CC)(CN)C(=O)N[C@H](CCC(=O)OC)C(=O)O
InChIInChI=1S/C13H24N2O5/c1-4-13(5-2,8-14)12(19)15-9(11(17)18)6-7-10(16)20-3/h9H,4-8,14H2,1-3H3,(H,15,19)(H,17,18)/t9-/m1/s1
InChIKeyCQRBEKQVSKADTK-SECBINFHSA-N
MW288.34 g/mol
LogP0.27
Rot. Bonds9

About (2R)-2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid

(2R)-2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid (PubChem CID 107824456) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is (2R)-2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
PubChem CID107824456
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name(2R)-2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
SMILESCCC(CC)(CN)C(=O)N[C@H](CCC(=O)OC)C(=O)O
InChIInChI=1S/C13H24N2O5/c1-4-13(5-2,8-14)12(19)15-9(11(17)18)6-7-10(16)20-3/h9H,4-8,14H2,1-3H3,(H,15,19)(H,17,18)/t9-/m1/s1
InChIKeyCQRBEKQVSKADTK-SECBINFHSA-N
XLogP0.27
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-4-hydroxybutanoic acid
CID 107825290
2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-5-methoxypentanoic acid
CID 115432700
(2R)-2-(2-aminoethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
CID 107826511
2-[(4-amino-2-methylbutanoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82787220
(2R)-2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107827131
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 103930427
(2R)-2-(5-aminopentanoylamino)-5-methoxy-5-oxopentanoic acid
CID 113342345
(2S)-2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107824122
2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-3-phenylpropanoic acid
CID 115432257
(2S)-2-[[2-(ethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 114005133
(2S)-2-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107828861
(2S)-5-methoxy-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]-5-oxopentanoic acid
CID 107828997

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid?
The IUPAC name of (2R)-2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid (CID 107824456) is (2R)-2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for (2R)-2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for (2R)-2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid is CCC(CC)(CN)C(=O)N[C@H](CCC(=O)OC)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid?
The InChIKey is CQRBEKQVSKADTK-SECBINFHSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-4-13(5-2,8-14)12(19)15-9(11(17)18)6-7-10(16)20-3/h9H,4-8,14H2,1-3H3,(H,15,19)(H,17,18)/t9-/m1/s1.
What are the key properties of (2R)-2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid?
(2R)-2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid has a molecular weight of 288.34 g/mol, XLogP of 0.27, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 107824456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).