(2R)-2-[3-(tert-butylamino)propanoylamino]-4-methylpentanoic acid

C13H26N2O3 — CID 78975548

IUPAC(2R)-2-[3-(tert-butylamino)propanoylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)CCNC(C)(C)C)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-9(2)8-10(12(17)18)15-11(16)6-7-14-13(3,4)5/h9-10,14H,6-8H2,1-5H3,(H,15,16)(H,17,18)/t10-/m1/s1
InChIKeyJBTYGKJAOSTDDG-SNVBAGLBSA-N
MW258.36 g/mol
LogP1.38
Rot. Bonds7

About (2R)-2-[3-(tert-butylamino)propanoylamino]-4-methylpentanoic acid

(2R)-2-[3-(tert-butylamino)propanoylamino]-4-methylpentanoic acid (PubChem CID 78975548) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is (2R)-2-[3-(tert-butylamino)propanoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-(tert-butylamino)propanoylamino]-4-methylpentanoic acid
PubChem CID78975548
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name(2R)-2-[3-(tert-butylamino)propanoylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)CCNC(C)(C)C)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-9(2)8-10(12(17)18)15-11(16)6-7-14-13(3,4)5/h9-10,14H,6-8H2,1-5H3,(H,15,16)(H,17,18)/t10-/m1/s1
InChIKeyJBTYGKJAOSTDDG-SNVBAGLBSA-N
XLogP1.38
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-acetamidopropanoylamino)-4-methylpentanoic acid
CID 61137787
(2R)-2-[3-(tert-butylamino)propanoylamino]hexanedioic acid
CID 107835658
(2S)-2-[3-(tert-butylamino)propanoylamino]-3-methylbutanoic acid
CID 61174193
(2S)-2-[(2-chloroacetyl)amino]-4-methylpentanoic acid
CID 2795110
(2S)-2-[(6-amino-4,4-dimethylhexanoyl)amino]-4-methylpentanoic acid
CID 79005179
2-[3-(tert-butylamino)propanoylamino]-3,3-dimethylbutanoic acid
CID 61161778
4-methyl-2-(3-methylsulfanylpropanoylamino)pentanoic acid
CID 43183366
(2S)-4-methyl-2-(3,4,4-trimethylpentanoylamino)pentanoic acid
CID 78952360
(2R)-2-[[4-(2-acetamidoethylamino)-4-oxobutanoyl]amino]-4-methylpentanoic acid
CID 92928341
(2S)-4-methyl-2-(pentadecanoylamino)pentanoic acid
CID 54331833
(2S)-4-methyl-2-(tetracosanoylamino)pentanoic acid
CID 171116901
(2R)-2-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid
CID 82012413

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(tert-butylamino)propanoylamino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[3-(tert-butylamino)propanoylamino]-4-methylpentanoic acid (CID 78975548) is (2R)-2-[3-(tert-butylamino)propanoylamino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[3-(tert-butylamino)propanoylamino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[3-(tert-butylamino)propanoylamino]-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)CCNC(C)(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[3-(tert-butylamino)propanoylamino]-4-methylpentanoic acid?
The InChIKey is JBTYGKJAOSTDDG-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-9(2)8-10(12(17)18)15-11(16)6-7-14-13(3,4)5/h9-10,14H,6-8H2,1-5H3,(H,15,16)(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-2-[3-(tert-butylamino)propanoylamino]-4-methylpentanoic acid?
(2R)-2-[3-(tert-butylamino)propanoylamino]-4-methylpentanoic acid has a molecular weight of 258.36 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(tert-butylamino)propanoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 78975548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).