(2S)-5-amino-2-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]pentanoic acid

C11H22N2O5 — CID 175712617

IUPAC(2S)-5-amino-2-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]pentanoic acid
SMILESCC(C)(CO)[C@@H](O)C(=O)N[C@@H](CCCN)C(=O)O
InChIInChI=1S/C11H22N2O5/c1-11(2,6-14)8(15)9(16)13-7(10(17)18)4-3-5-12/h7-8,14-15H,3-6,12H2,1-2H3,(H,13,16)(H,17,18)/t7-,8-/m0/s1
InChIKeyLRQFNXFEONJFCU-YUMQZZPRSA-N
MW262.31 g/mol
LogP-1.33
Rot. Bonds8

About (2S)-5-amino-2-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]pentanoic acid

(2S)-5-amino-2-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]pentanoic acid (PubChem CID 175712617) has the molecular formula C11H22N2O5 and a molecular weight of 262.31 g/mol. Its IUPAC name is (2S)-5-amino-2-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]pentanoic acid
PubChem CID175712617
Molecular FormulaC11H22N2O5
Molecular Weight262.31 g/mol
Exact Mass262.15
IUPAC Name(2S)-5-amino-2-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]pentanoic acid
SMILESCC(C)(CO)[C@@H](O)C(=O)N[C@@H](CCCN)C(=O)O
InChIInChI=1S/C11H22N2O5/c1-11(2,6-14)8(15)9(16)13-7(10(17)18)4-3-5-12/h7-8,14-15H,3-6,12H2,1-2H3,(H,13,16)(H,17,18)/t7-,8-/m0/s1
InChIKeyLRQFNXFEONJFCU-YUMQZZPRSA-N
XLogP-1.33
TPSA132.88 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-1.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (2S)-5-amino-2-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]pentanoic acid with MolForge

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Related Compounds

2-[(5-amino-2-methylpentanoyl)amino]-4-hydroxybutanoic acid
CID 104684708
(2R)-2-[(5-amino-2-methylpentanoyl)amino]-4-hydroxybutanoic acid
CID 107825086
(2R)-2-[(5-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid
CID 104685369
(2S)-6-amino-2-[[(2S)-6-amino-2-methylhexanoyl]amino]hexanoic acid
CID 118056357
(2S)-5-amino-2-(2-ethylhexanoylamino)pentanoic acid
CID 18606616
5-amino-2-(2,6-diaminohexanoylamino)pentanoic acid
CID 71340044
(2R)-5-amino-2-[(5-amino-2-methylpentanoyl)amino]-5-oxopentanoic acid
CID 107830220
(2R)-2-[(5-amino-2-methylpentanoyl)amino]propanoic acid
CID 103868754
(2S)-7-amino-2-[[(2S)-2-aminopropanoyl]amino]heptanoic acid
CID 175695979
(2S)-6-amino-2-[[(2S)-5-amino-2-(nitrososulfanylmethyl)pentanoyl]amino]hexanoic acid
CID 57142159
(2S)-5-amino-2-(carbamothioylamino)pentanoic acid
CID 87236660
(2S)-6-amino-2-[[(2R)-2-amino-3-(tert-butyldisulfanyl)propanoyl]amino]hexanoic acid
CID 175700271

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]pentanoic acid?
The IUPAC name of (2S)-5-amino-2-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]pentanoic acid (CID 175712617) is (2S)-5-amino-2-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]pentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]pentanoic acid is CC(C)(CO)[C@@H](O)C(=O)N[C@@H](CCCN)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]pentanoic acid?
The InChIKey is LRQFNXFEONJFCU-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H22N2O5/c1-11(2,6-14)8(15)9(16)13-7(10(17)18)4-3-5-12/h7-8,14-15H,3-6,12H2,1-2H3,(H,13,16)(H,17,18)/t7-,8-/m0/s1.
What are the key properties of (2S)-5-amino-2-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]pentanoic acid?
(2S)-5-amino-2-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]pentanoic acid has a molecular weight of 262.31 g/mol, XLogP of -1.33, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]pentanoic acid is sourced from PubChem (CID 175712617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).