(4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoate

C9H16NO4- — CID 21119691

IUPAC(4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoate
SMILESCC(C)(C)OC(=O)[C@@H](N)CCC(=O)[O-]
InChIInChI=1S/C9H17NO4/c1-9(2,3)14-8(13)6(10)4-5-7(11)12/h6H,4-5,10H2,1-3H3,(H,11,12)/p-1/t6-/m0/s1
InChIKeyQVAQMUAKTNUNLN-LURJTMIESA-M
MW202.23 g/mol
LogP-0.81
Rot. Bonds4

About (4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoate

(4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoate (PubChem CID 21119691) has the molecular formula C9H16NO4- and a molecular weight of 202.23 g/mol. Its IUPAC name is (4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoate.

Molecular Properties

Compound Name(4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoate
PubChem CID21119691
Molecular FormulaC9H16NO4-
Molecular Weight202.23 g/mol
Exact Mass202.11
IUPAC Name(4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoate
SMILESCC(C)(C)OC(=O)[C@@H](N)CCC(=O)[O-]
InChIInChI=1S/C9H17NO4/c1-9(2,3)14-8(13)6(10)4-5-7(11)12/h6H,4-5,10H2,1-3H3,(H,11,12)/p-1/t6-/m0/s1
InChIKeyQVAQMUAKTNUNLN-LURJTMIESA-M
XLogP-0.81
TPSA92.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2S)-2-amino-5-methylhex-5-enoate
CID 155170397
4-bromo-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoate
CID 131740557
1-O-tert-butyl 5-O-[(2-methylpropan-2-yl)oxycarbonyl] (2S)-2-aminopentanedioate
CID 122423644
tert-butyl 2-amino-5-oxo-5-(sulfanylamino)pentanoate
CID 91125306
tert-butyl (2S)-2-amino-4-chlorobutanoate
CID 174394130
tert-butyl (2R)-2-amino-4-methoxybutanoate
CID 170904338
ditert-butyl (2S)-2-aminoheptanedioate
CID 129411968
tert-butyl (2R)-2,6-diaminohexanoate
CID 92978498
tert-butyl 2-amino-5-fluoropentanoate
CID 5323645
tert-butyl (2S)-2-aminohexanoate;hydrochloride
CID 86590451
tert-butyl (2S)-2-aminoheptanoate
CID 88862421
(2R)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 7016383

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoate?
The IUPAC name of (4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoate (CID 21119691) is (4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoate.
What is the SMILES notation for (4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoate?
The canonical SMILES for (4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoate is CC(C)(C)OC(=O)[C@@H](N)CCC(=O)[O-].
What is the InChIKey of (4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoate?
The InChIKey is QVAQMUAKTNUNLN-LURJTMIESA-M. The full InChI is InChI=1S/C9H17NO4/c1-9(2,3)14-8(13)6(10)4-5-7(11)12/h6H,4-5,10H2,1-3H3,(H,11,12)/p-1/t6-/m0/s1.
What are the key properties of (4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoate?
(4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoate has a molecular weight of 202.23 g/mol, XLogP of -0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoate is sourced from PubChem (CID 21119691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).