tert-butyl (2R)-2-methyl-3-(3-propan-2-yloxypropylamino)propanoate

C14H29NO3 — CID 94133666

IUPACtert-butyl (2R)-2-methyl-3-(3-propan-2-yloxypropylamino)propanoate
SMILESCC(C)OCCCNC[C@@H](C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H29NO3/c1-11(2)17-9-7-8-15-10-12(3)13(16)18-14(4,5)6/h11-12,15H,7-10H2,1-6H3/t12-/m1/s1
InChIKeyNFYDMCCDOPTTSV-GFCCVEGCSA-N
MW259.39 g/mol
LogP2.37
Rot. Bonds8

About tert-butyl (2R)-2-methyl-3-(3-propan-2-yloxypropylamino)propanoate

tert-butyl (2R)-2-methyl-3-(3-propan-2-yloxypropylamino)propanoate (PubChem CID 94133666) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is tert-butyl (2R)-2-methyl-3-(3-propan-2-yloxypropylamino)propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-methyl-3-(3-propan-2-yloxypropylamino)propanoate
PubChem CID94133666
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Nametert-butyl (2R)-2-methyl-3-(3-propan-2-yloxypropylamino)propanoate
SMILESCC(C)OCCCNC[C@@H](C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H29NO3/c1-11(2)17-9-7-8-15-10-12(3)13(16)18-14(4,5)6/h11-12,15H,7-10H2,1-6H3/t12-/m1/s1
InChIKeyNFYDMCCDOPTTSV-GFCCVEGCSA-N
XLogP2.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-(tert-butylamino)-2-methylpropanoate
CID 46318602
3-(3-propan-2-yloxypropylamino)propanamide
CID 2502548
tert-butyl (2S)-4-hydrazinyl-2-methylbutanoate
CID 118703214
propan-2-yl 3-(2-aminoethylamino)-2-methylpropanoate
CID 20551228
tert-butyl 2-methyl-5-(methylamino)pentanoate
CID 174255913
3-amino-2,2-dimethyl-N-(3-propan-2-yloxypropyl)propanamide
CID 81484725
tert-butyl 2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 12923316
N'-tert-butyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 107444739
tert-butyl 4-hydrazinyl-2-methylbutanoate;hydrochloride
CID 118703211
tert-butyl N-[3-(2-methylpropylamino)propyl]carbamate
CID 59722489
(2R)-2-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide
CID 79012909
1-(2-hydroxy-2,3-dimethylbutyl)-3-(3-propan-2-yloxypropyl)urea
CID 111120811

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-methyl-3-(3-propan-2-yloxypropylamino)propanoate?
The IUPAC name of tert-butyl (2R)-2-methyl-3-(3-propan-2-yloxypropylamino)propanoate (CID 94133666) is tert-butyl (2R)-2-methyl-3-(3-propan-2-yloxypropylamino)propanoate.
What is the SMILES notation for tert-butyl (2R)-2-methyl-3-(3-propan-2-yloxypropylamino)propanoate?
The canonical SMILES for tert-butyl (2R)-2-methyl-3-(3-propan-2-yloxypropylamino)propanoate is CC(C)OCCCNC[C@@H](C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-methyl-3-(3-propan-2-yloxypropylamino)propanoate?
The InChIKey is NFYDMCCDOPTTSV-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H29NO3/c1-11(2)17-9-7-8-15-10-12(3)13(16)18-14(4,5)6/h11-12,15H,7-10H2,1-6H3/t12-/m1/s1.
What are the key properties of tert-butyl (2R)-2-methyl-3-(3-propan-2-yloxypropylamino)propanoate?
tert-butyl (2R)-2-methyl-3-(3-propan-2-yloxypropylamino)propanoate has a molecular weight of 259.39 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-methyl-3-(3-propan-2-yloxypropylamino)propanoate is sourced from PubChem (CID 94133666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).