tert-butyl 3-formamido-4-hydroxybutanoate

C9H17NO4 — CID 163370404

IUPACtert-butyl 3-formamido-4-hydroxybutanoate
SMILESCC(C)(C)OC(=O)CC(CO)NC=O
InChIInChI=1S/C9H17NO4/c1-9(2,3)14-8(13)4-7(5-11)10-6-12/h6-7,11H,4-5H2,1-3H3,(H,10,12)
InChIKeyLEXUVQJNAACZFX-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.17
Rot. Bonds5

About tert-butyl 3-formamido-4-hydroxybutanoate

tert-butyl 3-formamido-4-hydroxybutanoate (PubChem CID 163370404) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is tert-butyl 3-formamido-4-hydroxybutanoate.

Molecular Properties

Compound Nametert-butyl 3-formamido-4-hydroxybutanoate
PubChem CID163370404
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Nametert-butyl 3-formamido-4-hydroxybutanoate
SMILESCC(C)(C)OC(=O)CC(CO)NC=O
InChIInChI=1S/C9H17NO4/c1-9(2,3)14-8(13)4-7(5-11)10-6-12/h6-7,11H,4-5H2,1-3H3,(H,10,12)
InChIKeyLEXUVQJNAACZFX-UHFFFAOYSA-N
XLogP-0.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-hydroxy-3-(oxomethylamino)butanoate;fermium
CID 163370403
sodium;boranuide;tert-butyl (3R)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 173145039
tert-butyl 3-(1,3-dihydroxypropan-2-ylamino)propanoate
CID 103237046
tert-butyl 3-(1-hydroxypropan-2-ylamino)butanoate
CID 110012338
(3R)-5-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 131637281
tert-butyl 2-formamidoacetate
CID 11469223
tert-butyl (3R)-3,4,4-trimethylpentanoate
CID 89006070
tert-butyl 3,3-diaminopropanoate
CID 57031897
ditert-butyl 3-(2-hydroxyethyl)pentanedioate
CID 57305797
tert-butyl (3R)-3-(hydroxymethyl)-5-methylhexanoate
CID 11127679
tert-butyl 2-formamido-4-methylpent-4-enoate
CID 10353162
tert-butyl (3S)-3-hydroxy-6-oxohexanoate
CID 166706842

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-formamido-4-hydroxybutanoate?
The IUPAC name of tert-butyl 3-formamido-4-hydroxybutanoate (CID 163370404) is tert-butyl 3-formamido-4-hydroxybutanoate.
What is the SMILES notation for tert-butyl 3-formamido-4-hydroxybutanoate?
The canonical SMILES for tert-butyl 3-formamido-4-hydroxybutanoate is CC(C)(C)OC(=O)CC(CO)NC=O.
What is the InChIKey of tert-butyl 3-formamido-4-hydroxybutanoate?
The InChIKey is LEXUVQJNAACZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-9(2,3)14-8(13)4-7(5-11)10-6-12/h6-7,11H,4-5H2,1-3H3,(H,10,12).
What are the key properties of tert-butyl 3-formamido-4-hydroxybutanoate?
tert-butyl 3-formamido-4-hydroxybutanoate has a molecular weight of 203.24 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-formamido-4-hydroxybutanoate is sourced from PubChem (CID 163370404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).