(2R)-2-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]-4-methylpentanoic acid

C15H30N2O3 — CID 78992738

IUPAC(2R)-2-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)CCC(CCN)C(C)C)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-10(2)9-13(15(19)20)17-14(18)6-5-12(7-8-16)11(3)4/h10-13H,5-9,16H2,1-4H3,(H,17,18)(H,19,20)/t12?,13-/m1/s1
InChIKeyOYJDFTWMTLCUPO-ZGTCLIOFSA-N
MW286.42 g/mol
LogP2.00
Rot. Bonds10

About (2R)-2-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]-4-methylpentanoic acid

(2R)-2-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]-4-methylpentanoic acid (PubChem CID 78992738) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is (2R)-2-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]-4-methylpentanoic acid
PubChem CID78992738
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name(2R)-2-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)CCC(CCN)C(C)C)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-10(2)9-13(15(19)20)17-14(18)6-5-12(7-8-16)11(3)4/h10-13H,5-9,16H2,1-4H3,(H,17,18)(H,19,20)/t12?,13-/m1/s1
InChIKeyOYJDFTWMTLCUPO-ZGTCLIOFSA-N
XLogP2.00
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]-4-methylpentanoic acid with MolForge

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Related Compounds

(2R)-2-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid
CID 82012413
2-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid
CID 82010708
(2S)-2-[(6-amino-4,4-dimethylhexanoyl)amino]-4-methylpentanoic acid
CID 79005179
4-(2-aminoethyl)-N-[(2S)-1-hydroxypropan-2-yl]-5-methylhexanamide
CID 107219019
5-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]hexanoic acid
CID 82847041
(2S)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-4-methylpentanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid
CID 87663498
(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 13037660
4-methyl-2-(3-methylsulfanylpropanoylamino)pentanoic acid
CID 43183366
(2S)-2-(3,4-dimethylpentanoylamino)-4-methylpentanoic acid
CID 119361522
(2S)-2-(3-aminobutanoylamino)-4-methylpentanoic acid
CID 56645624
(2S)-4-methyl-2-(tetracosanoylamino)pentanoic acid
CID 171116901
(2S)-2-(3-acetamidopropanoylamino)-4-methylpentanoic acid
CID 61137787

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]-4-methylpentanoic acid (CID 78992738) is (2R)-2-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)CCC(CCN)C(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]-4-methylpentanoic acid?
The InChIKey is OYJDFTWMTLCUPO-ZGTCLIOFSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-10(2)9-13(15(19)20)17-14(18)6-5-12(7-8-16)11(3)4/h10-13H,5-9,16H2,1-4H3,(H,17,18)(H,19,20)/t12?,13-/m1/s1.
What are the key properties of (2R)-2-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]-4-methylpentanoic acid?
(2R)-2-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]-4-methylpentanoic acid has a molecular weight of 286.42 g/mol, XLogP of 2.00, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 78992738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).