(4S)-4-(dimethylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

C11H21NO4 — CID 134205126

IUPAC(4S)-4-(dimethylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILESCN(C)[C@@H](CCC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-11(2,3)16-10(15)8(12(4)5)6-7-9(13)14/h8H,6-7H2,1-5H3,(H,13,14)/t8-/m0/s1
InChIKeyIWUZQHXKVTYZPQ-QMMMGPOBSA-N
MW231.29 g/mol
LogP1.12
Rot. Bonds5

About (4S)-4-(dimethylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

(4S)-4-(dimethylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (PubChem CID 134205126) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is (4S)-4-(dimethylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.

Molecular Properties

Compound Name(4S)-4-(dimethylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
PubChem CID134205126
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name(4S)-4-(dimethylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILESCN(C)[C@@H](CCC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-11(2,3)16-10(15)8(12(4)5)6-7-9(13)14/h8H,6-7H2,1-5H3,(H,13,14)/t8-/m0/s1
InChIKeyIWUZQHXKVTYZPQ-QMMMGPOBSA-N
XLogP1.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-(dimethylamino)-5-methoxy-5-oxopentanoic acid
CID 87295526
(2R)-5-(tert-butoxy)-2-(dimethylamino)-5-oxopentanoic acid
CID 165800140
(2S)-5-(tert-butoxy)-2-(dimethylamino)-5-oxopentanoic acid
CID 165817315
(4R)-5-(tert-butoxy)-4-(dimethylamino)-5-oxopentanoic acid
CID 171689522
DIMBOA trihexose
CID 87186808
(2S)-2-(diethylamino)pentanedioic acid
CID 18642083
N,N-bis[2-[bis [2-(1,1-dimethylethoxy)-2-oxoethyl]amino]ethyl]-l-glutamic acid 1-(1,1-dimethylethyl) ester
CID 54314119
4-{4,7-Bis[2-(tert-butoxy)-2-oxoethyl]-1,4,7-triazonan-1-yl}-5-(tert-butoxy)-5-oxopentanoic acid
CID 58038836
4,4'-(4,10-Bis(2-(tert-butoxy)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,7-diyl)bis(5-(tert-butoxy)-5-oxopentanoic acid)
CID 72416814
t-Butyloxycarbonyl (boc)-glutamic acid
CID 87547785
1,3-Dicarboxypropyl(trimethyl)azanium
CID 21299670
N(Boc2)Glu-OtBu
CID 10621191

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(dimethylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The IUPAC name of (4S)-4-(dimethylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (CID 134205126) is (4S)-4-(dimethylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.
What is the SMILES notation for (4S)-4-(dimethylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The canonical SMILES for (4S)-4-(dimethylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is CN(C)[C@@H](CCC(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of (4S)-4-(dimethylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The InChIKey is IWUZQHXKVTYZPQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H21NO4/c1-11(2,3)16-10(15)8(12(4)5)6-7-9(13)14/h8H,6-7H2,1-5H3,(H,13,14)/t8-/m0/s1.
What are the key properties of (4S)-4-(dimethylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
(4S)-4-(dimethylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid has a molecular weight of 231.29 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(dimethylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is sourced from PubChem (CID 134205126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).