(2R)-2-(tert-butylamino)-5-ethoxy-5-oxopentanoic acid

C11H21NO4 — CID 154614545

IUPAC(2R)-2-(tert-butylamino)-5-ethoxy-5-oxopentanoic acid
SMILESCCOC(=O)CC[C@@H](NC(C)(C)C)C(=O)O
InChIInChI=1S/C11H21NO4/c1-5-16-9(13)7-6-8(10(14)15)12-11(2,3)4/h8,12H,5-7H2,1-4H3,(H,14,15)/t8-/m1/s1
InChIKeyBKPQQFUZBKIXLY-MRVPVSSYSA-N
MW231.29 g/mol
LogP1.17
Rot. Bonds6

About (2R)-2-(tert-butylamino)-5-ethoxy-5-oxopentanoic acid

(2R)-2-(tert-butylamino)-5-ethoxy-5-oxopentanoic acid (PubChem CID 154614545) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is (2R)-2-(tert-butylamino)-5-ethoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-2-(tert-butylamino)-5-ethoxy-5-oxopentanoic acid
PubChem CID154614545
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name(2R)-2-(tert-butylamino)-5-ethoxy-5-oxopentanoic acid
SMILESCCOC(=O)CC[C@@H](NC(C)(C)C)C(=O)O
InChIInChI=1S/C11H21NO4/c1-5-16-9(13)7-6-8(10(14)15)12-11(2,3)4/h8,12H,5-7H2,1-4H3,(H,14,15)/t8-/m1/s1
InChIKeyBKPQQFUZBKIXLY-MRVPVSSYSA-N
XLogP1.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-5-ethoxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-5-oxopentanoic acid
CID 107039393
diethyl (2S)-2-methylpentanedioate
CID 89120789
2-(tert-butylamino)-4-hydroxybutanoic acid
CID 83695715
(2S)-2-(cyclopropanecarbonylamino)-5-ethoxy-5-oxopentanoic acid
CID 107039185
(4S)-4-(tert-butylamino)-5-methoxy-5-oxopentanoic acid
CID 54041640
5-O-ethyl 1-O-methyl 2-acetamidopentanedioate
CID 11345256
(4S)-4-(tert-butylamino)-5-methoxy-5-oxopentanoic acid;hydrochloride
CID 164588662
5-amino-2-(2-aminobutan-2-ylamino)-5-oxopentanoic acid
CID 174723858
(2S)-5-ethoxy-2-[[(2E)-hexa-2,4-dienoyl]amino]-5-oxopentanoic acid
CID 107039208
(2S)-6-amino-2-[(3-ethoxy-3-oxopropyl)amino]hexanoic acid
CID 121395511
ethyl 4-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 123550567
(2S)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-ethoxy-5-oxopentanoic acid
CID 107039125

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(tert-butylamino)-5-ethoxy-5-oxopentanoic acid?
The IUPAC name of (2R)-2-(tert-butylamino)-5-ethoxy-5-oxopentanoic acid (CID 154614545) is (2R)-2-(tert-butylamino)-5-ethoxy-5-oxopentanoic acid.
What is the SMILES notation for (2R)-2-(tert-butylamino)-5-ethoxy-5-oxopentanoic acid?
The canonical SMILES for (2R)-2-(tert-butylamino)-5-ethoxy-5-oxopentanoic acid is CCOC(=O)CC[C@@H](NC(C)(C)C)C(=O)O.
What is the InChIKey of (2R)-2-(tert-butylamino)-5-ethoxy-5-oxopentanoic acid?
The InChIKey is BKPQQFUZBKIXLY-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-5-16-9(13)7-6-8(10(14)15)12-11(2,3)4/h8,12H,5-7H2,1-4H3,(H,14,15)/t8-/m1/s1.
What are the key properties of (2R)-2-(tert-butylamino)-5-ethoxy-5-oxopentanoic acid?
(2R)-2-(tert-butylamino)-5-ethoxy-5-oxopentanoic acid has a molecular weight of 231.29 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(tert-butylamino)-5-ethoxy-5-oxopentanoic acid is sourced from PubChem (CID 154614545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).