tert-butyl N-[(2R)-1-(2-methoxyethoxy)-3-(propan-2-ylamino)propan-2-yl]carbamate

C14H30N2O4 — CID 87420750

IUPACtert-butyl N-[(2R)-1-(2-methoxyethoxy)-3-(propan-2-ylamino)propan-2-yl]carbamate
SMILESCOCCOC[C@@H](CNC(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H30N2O4/c1-11(2)15-9-12(10-19-8-7-18-6)16-13(17)20-14(3,4)5/h11-12,15H,7-10H2,1-6H3,(H,16,17)/t12-/m1/s1
InChIKeyXCICENOGGLCNFV-GFCCVEGCSA-N
MW290.40 g/mol
LogP1.54
Rot. Bonds9

About tert-butyl N-[(2R)-1-(2-methoxyethoxy)-3-(propan-2-ylamino)propan-2-yl]carbamate

tert-butyl N-[(2R)-1-(2-methoxyethoxy)-3-(propan-2-ylamino)propan-2-yl]carbamate (PubChem CID 87420750) has the molecular formula C14H30N2O4 and a molecular weight of 290.40 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-(2-methoxyethoxy)-3-(propan-2-ylamino)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-(2-methoxyethoxy)-3-(propan-2-ylamino)propan-2-yl]carbamate
PubChem CID87420750
Molecular FormulaC14H30N2O4
Molecular Weight290.40 g/mol
Exact Mass290.22
IUPAC Nametert-butyl N-[(2R)-1-(2-methoxyethoxy)-3-(propan-2-ylamino)propan-2-yl]carbamate
SMILESCOCCOC[C@@H](CNC(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H30N2O4/c1-11(2)15-9-12(10-19-8-7-18-6)16-13(17)20-14(3,4)5/h11-12,15H,7-10H2,1-6H3,(H,16,17)/t12-/m1/s1
InChIKeyXCICENOGGLCNFV-GFCCVEGCSA-N
XLogP1.54
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2S)-1-methoxybutan-2-yl]carbamate
CID 46941495
tert-butyl N-[1-(1-methoxypropan-2-ylamino)propan-2-yl]carbamate
CID 107247678
tert-butyl N-[1-hydroxy-3-(methoxymethoxy)propan-2-yl]carbamate
CID 19691499
tert-butyl N-[(2S)-4-hydroxy-1-methoxybutan-2-yl]carbamate
CID 53259998
(4R)-5-methoxy-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 170910958
tert-butyl N-[1-(3-methoxybutan-2-ylamino)butan-2-yl]carbamate
CID 107250414
tert-butyl N-[(2R,3R)-3-amino-1-methoxybutan-2-yl]carbamate
CID 131733528
tert-butyl N-[(2S)-1-(2-aminoethoxy)propan-2-yl]carbamate
CID 155098755
tert-butyl N-[(2S)-1-(methoxymethoxy)propan-2-yl]carbamate
CID 177407603
tert-butyl N-[3-methoxy-2-(methylcarbamoylamino)propyl]carbamate
CID 58758815
tert-butyl N-[(2S)-1-dodecoxy-3-hydroxypropan-2-yl]carbamate
CID 101232205
tert-butyl N-[(2S)-1-(methoxycarbonylamino)-4-methylpentan-2-yl]carbamate
CID 110288510

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-(2-methoxyethoxy)-3-(propan-2-ylamino)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-(2-methoxyethoxy)-3-(propan-2-ylamino)propan-2-yl]carbamate (CID 87420750) is tert-butyl N-[(2R)-1-(2-methoxyethoxy)-3-(propan-2-ylamino)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-(2-methoxyethoxy)-3-(propan-2-ylamino)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-(2-methoxyethoxy)-3-(propan-2-ylamino)propan-2-yl]carbamate is COCCOC[C@@H](CNC(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-(2-methoxyethoxy)-3-(propan-2-ylamino)propan-2-yl]carbamate?
The InChIKey is XCICENOGGLCNFV-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H30N2O4/c1-11(2)15-9-12(10-19-8-7-18-6)16-13(17)20-14(3,4)5/h11-12,15H,7-10H2,1-6H3,(H,16,17)/t12-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-(2-methoxyethoxy)-3-(propan-2-ylamino)propan-2-yl]carbamate?
tert-butyl N-[(2R)-1-(2-methoxyethoxy)-3-(propan-2-ylamino)propan-2-yl]carbamate has a molecular weight of 290.40 g/mol, XLogP of 1.54, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-(2-methoxyethoxy)-3-(propan-2-ylamino)propan-2-yl]carbamate is sourced from PubChem (CID 87420750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).