5-oxo-2-propan-2-yl-5-(propan-2-ylamino)pentanoic acid

C11H21NO3 — CID 112515283

IUPAC5-oxo-2-propan-2-yl-5-(propan-2-ylamino)pentanoic acid
SMILESCC(C)NC(=O)CCC(C(=O)O)C(C)C
InChIInChI=1S/C11H21NO3/c1-7(2)9(11(14)15)5-6-10(13)12-8(3)4/h7-9H,5-6H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyCZSCDCHVVJPFRA-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.65
Rot. Bonds6

About 5-oxo-2-propan-2-yl-5-(propan-2-ylamino)pentanoic acid

5-oxo-2-propan-2-yl-5-(propan-2-ylamino)pentanoic acid (PubChem CID 112515283) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 5-oxo-2-propan-2-yl-5-(propan-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name5-oxo-2-propan-2-yl-5-(propan-2-ylamino)pentanoic acid
PubChem CID112515283
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name5-oxo-2-propan-2-yl-5-(propan-2-ylamino)pentanoic acid
SMILESCC(C)NC(=O)CCC(C(=O)O)C(C)C
InChIInChI=1S/C11H21NO3/c1-7(2)9(11(14)15)5-6-10(13)12-8(3)4/h7-9H,5-6H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyCZSCDCHVVJPFRA-UHFFFAOYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 6993184
3-methyl-2-[[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]methyl]butanoic acid
CID 65220996
3,3-dimethyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoyl]butanoic acid
CID 116537453
3-methyl-2-[3-oxo-3-(propan-2-ylamino)propyl]sulfanylbutanoic acid
CID 105353844
N,N'-di(propan-2-yl)decanediamide
CID 58997511
ethane;2-propan-2-ylpentanoic acid
CID 175540570
ethane;N-propan-2-ylbutanamide
CID 169175258
2-(acetylamino)-5-oxo-5-(propan-2-ylamino)pentanoic acid;carbanide;yttrium
CID 167623600
5-amino-5-imino-2-propan-2-ylpentanoic acid
CID 161485989
(2R)-2-(4,4-dimethylpentanoylamino)-3-methylbutanoic acid
CID 119368120
2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]butanoic acid
CID 119223676
(2S)-2-(3-hydroxypropanoylamino)-3-methylbutanoic acid
CID 87567267

Frequently Asked Questions

What is the IUPAC name of 5-oxo-2-propan-2-yl-5-(propan-2-ylamino)pentanoic acid?
The IUPAC name of 5-oxo-2-propan-2-yl-5-(propan-2-ylamino)pentanoic acid (CID 112515283) is 5-oxo-2-propan-2-yl-5-(propan-2-ylamino)pentanoic acid.
What is the SMILES notation for 5-oxo-2-propan-2-yl-5-(propan-2-ylamino)pentanoic acid?
The canonical SMILES for 5-oxo-2-propan-2-yl-5-(propan-2-ylamino)pentanoic acid is CC(C)NC(=O)CCC(C(=O)O)C(C)C.
What is the InChIKey of 5-oxo-2-propan-2-yl-5-(propan-2-ylamino)pentanoic acid?
The InChIKey is CZSCDCHVVJPFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-7(2)9(11(14)15)5-6-10(13)12-8(3)4/h7-9H,5-6H2,1-4H3,(H,12,13)(H,14,15).
What are the key properties of 5-oxo-2-propan-2-yl-5-(propan-2-ylamino)pentanoic acid?
5-oxo-2-propan-2-yl-5-(propan-2-ylamino)pentanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-2-propan-2-yl-5-(propan-2-ylamino)pentanoic acid is sourced from PubChem (CID 112515283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).