4-amino-2-methyl-5-oxo-5-propoxypentanoic acid

C9H17NO4 — CID 154095903

IUPAC4-amino-2-methyl-5-oxo-5-propoxypentanoic acid
SMILESCCCOC(=O)C(N)CC(C)C(=O)O
InChIInChI=1S/C9H17NO4/c1-3-4-14-9(13)7(10)5-6(2)8(11)12/h6-7H,3-5,10H2,1-2H3,(H,11,12)
InChIKeyGMIDIJHDBJVCCS-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.38
Rot. Bonds6

About 4-amino-2-methyl-5-oxo-5-propoxypentanoic acid

4-amino-2-methyl-5-oxo-5-propoxypentanoic acid (PubChem CID 154095903) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-amino-2-methyl-5-oxo-5-propoxypentanoic acid.

Molecular Properties

Compound Name4-amino-2-methyl-5-oxo-5-propoxypentanoic acid
PubChem CID154095903
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name4-amino-2-methyl-5-oxo-5-propoxypentanoic acid
SMILESCCCOC(=O)C(N)CC(C)C(=O)O
InChIInChI=1S/C9H17NO4/c1-3-4-14-9(13)7(10)5-6(2)8(11)12/h6-7H,3-5,10H2,1-2H3,(H,11,12)
InChIKeyGMIDIJHDBJVCCS-UHFFFAOYSA-N
XLogP0.38
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propyl (2R)-2-amino-3-hydroxypropanoate
CID 55281348
2-propoxyethyl 2-amino-4-methylpentanoate
CID 63685602
propyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride
CID 131729419
propyl (2R)-2-methylbutanoate
CID 86306230
4-amino-2-methylpentanoic acid
CID 22105024
(2R)-2-amino-4-propoxypentanoic acid
CID 89091737
propyl 3-amino-2-methylpropanoate
CID 54192704
2-hydroxy-3-oxo-3-propoxypropanoic acid
CID 21477330
2-methylpropanoic acid;propyl hydrogen carbonate
CID 174790035
heptadecyl (2S)-2-amino-4-methylpentanoate
CID 54540709
ethyl (2S)-2-amino-4-methylpentanoate;hydrochloride
CID 11658447
4-(2-hydroxyethoxycarbonyl)-2-methylhexanoic acid
CID 176620602

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-5-oxo-5-propoxypentanoic acid?
The IUPAC name of 4-amino-2-methyl-5-oxo-5-propoxypentanoic acid (CID 154095903) is 4-amino-2-methyl-5-oxo-5-propoxypentanoic acid.
What is the SMILES notation for 4-amino-2-methyl-5-oxo-5-propoxypentanoic acid?
The canonical SMILES for 4-amino-2-methyl-5-oxo-5-propoxypentanoic acid is CCCOC(=O)C(N)CC(C)C(=O)O.
What is the InChIKey of 4-amino-2-methyl-5-oxo-5-propoxypentanoic acid?
The InChIKey is GMIDIJHDBJVCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-3-4-14-9(13)7(10)5-6(2)8(11)12/h6-7H,3-5,10H2,1-2H3,(H,11,12).
What are the key properties of 4-amino-2-methyl-5-oxo-5-propoxypentanoic acid?
4-amino-2-methyl-5-oxo-5-propoxypentanoic acid has a molecular weight of 203.24 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-5-oxo-5-propoxypentanoic acid is sourced from PubChem (CID 154095903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).