tert-butyl (3R)-3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate

C19H35NO6 — CID 22941991

IUPACtert-butyl (3R)-3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
SMILESCC[C@H](CC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C19H35NO6/c1-11-13(12-14(21)24-17(2,3)4)20(15(22)25-18(5,6)7)16(23)26-19(8,9)10/h13H,11-12H2,1-10H3/t13-/m1/s1
InChIKeyRGNDGQFERIGZQW-CYBMUJFWSA-N
MW373.49 g/mol
LogP4.67
Rot. Bonds4

About tert-butyl (3R)-3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate

tert-butyl (3R)-3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate (PubChem CID 22941991) has the molecular formula C19H35NO6 and a molecular weight of 373.49 g/mol. Its IUPAC name is tert-butyl (3R)-3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
PubChem CID22941991
Molecular FormulaC19H35NO6
Molecular Weight373.49 g/mol
Exact Mass373.25
IUPAC Nametert-butyl (3R)-3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
SMILESCC[C@H](CC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C19H35NO6/c1-11-13(12-14(21)24-17(2,3)4)20(15(22)25-18(5,6)7)16(23)26-19(8,9)10/h13H,11-12H2,1-10H3/t13-/m1/s1
InChIKeyRGNDGQFERIGZQW-CYBMUJFWSA-N
XLogP4.67
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.49
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-{[(tert-butoxy)carbonyl](methyl)amino}pentanoic acid
CID 167726918
Ethyl 3-{{[(1,1-dimethylethyl)oxy]carbonyl}[3-(ethyloxy)-3-oxopropyl]amino}butanoate
CID 59255995
methyl (4R)-4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 59367235
Methyl 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 59868550
Tert-butyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 117806243
tert-butyl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 118604332
Ethyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 134521180
3-[(2-Methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoyl 3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoate
CID 137479866
Tert-butyl 2-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]butanoate
CID 141586410
Ethyl 3-[ethoxycarbonyl(methyl)amino]pentanoate
CID 141761596
Ethyl 3-[cyano-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 150505410
Methyl 3-[(2-methylpropan-2-yl)oxycarbonyl-(3-pentoxypropyl)amino]propanoate
CID 169632481

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate?
The IUPAC name of tert-butyl (3R)-3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate (CID 22941991) is tert-butyl (3R)-3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate.
What is the SMILES notation for tert-butyl (3R)-3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate?
The canonical SMILES for tert-butyl (3R)-3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate is CC[C@H](CC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (3R)-3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate?
The InChIKey is RGNDGQFERIGZQW-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H35NO6/c1-11-13(12-14(21)24-17(2,3)4)20(15(22)25-18(5,6)7)16(23)26-19(8,9)10/h13H,11-12H2,1-10H3/t13-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate?
tert-butyl (3R)-3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate has a molecular weight of 373.49 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate is sourced from PubChem (CID 22941991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).