acetic acid;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid

C11H21NO7 — CID 129285625

IUPACacetic acid;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid
SMILESCC(=O)O.CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O
InChIInChI=1S/C9H17NO5.C2H4O2/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;1-2(3)4/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);1H3,(H,3,4)/t7-;/m0./s1
InChIKeyOKKCUUVXXGEBEV-FJXQXJEOSA-N
MW279.29 g/mol
LogP-0.95
Rot. Bonds6

About acetic acid;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid

acetic acid;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid (PubChem CID 129285625) has the molecular formula C11H21NO7 and a molecular weight of 279.29 g/mol. Its IUPAC name is acetic acid;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid.

Molecular Properties

Compound Nameacetic acid;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid
PubChem CID129285625
Molecular FormulaC11H21NO7
Molecular Weight279.29 g/mol
Exact Mass279.13
IUPAC Nameacetic acid;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid
SMILESCC(=O)O.CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O
InChIInChI=1S/C9H17NO5.C2H4O2/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;1-2(3)4/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);1H3,(H,3,4)/t7-;/m0./s1
InChIKeyOKKCUUVXXGEBEV-FJXQXJEOSA-N
XLogP-0.95
TPSA144.16 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 5-0.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze acetic acid;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid with MolForge

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Related Compounds

3-[[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl](15N)amino](1,2,3-13C3)propanoic acid
CID 170898855
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl](15N)amino](313C)propanoic acid
CID 101257666
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydrochloride
CID 155803311
3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid;phosphane
CID 174763260
CID 172837539
CID 172837539
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;gold
CID 176912960
sodium;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydride
CID 172998146
tricalcium;bis(3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid);bis(oxygen(2-))
CID 173212028
lithium;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydride
CID 174739358
calcium;magnesium;copper;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydride;zinc
CID 174492859
calcium;bis(3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate);3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid
CID 173090351
(2S)-N-(3-amino-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide
CID 59125211

Frequently Asked Questions

What is the IUPAC name of acetic acid;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid?
The IUPAC name of acetic acid;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid (CID 129285625) is acetic acid;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid.
What is the SMILES notation for acetic acid;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid?
The canonical SMILES for acetic acid;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid is CC(=O)O.CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O.
What is the InChIKey of acetic acid;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid?
The InChIKey is OKKCUUVXXGEBEV-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H17NO5.C2H4O2/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;1-2(3)4/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);1H3,(H,3,4)/t7-;/m0./s1.
What are the key properties of acetic acid;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid?
acetic acid;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid has a molecular weight of 279.29 g/mol, XLogP of -0.95, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid is sourced from PubChem (CID 129285625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).