methyl 3-(diethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

C15H30N2O4 — CID 101356131

IUPACmethyl 3-(diethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCCN(CC)C(CC(=O)OC)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O4/c1-8-17(9-2)12(10-13(18)20-7)11(3)16-14(19)21-15(4,5)6/h11-12H,8-10H2,1-7H3,(H,16,19)
InChIKeyGUHMHOXKVJFYNI-UHFFFAOYSA-N
MW302.41 g/mol
LogP2.17
Rot. Bonds7

About methyl 3-(diethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

methyl 3-(diethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (PubChem CID 101356131) has the molecular formula C15H30N2O4 and a molecular weight of 302.41 g/mol. Its IUPAC name is methyl 3-(diethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.

Molecular Properties

Compound Namemethyl 3-(diethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
PubChem CID101356131
Molecular FormulaC15H30N2O4
Molecular Weight302.41 g/mol
Exact Mass302.22
IUPAC Namemethyl 3-(diethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCCN(CC)C(CC(=O)OC)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O4/c1-8-17(9-2)12(10-13(18)20-7)11(3)16-14(19)21-15(4,5)6/h11-12H,8-10H2,1-7H3,(H,16,19)
InChIKeyGUHMHOXKVJFYNI-UHFFFAOYSA-N
XLogP2.17
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (3S,4S)-3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 18607834
tert-butyl N-[4-amino-3-[ethyl(2-ethylbutyl)amino]butan-2-yl]carbamate
CID 102729760
1-O-ethyl 5-O-methyl (2S,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
CID 122217658
tert-butyl N-[4-amino-3-[2-ethoxyethyl(ethyl)amino]butan-2-yl]carbamate
CID 102730097
4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
CID 4104742
1-O-tert-butyl 4-O-methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 75487896
methyl (3S,4S)-3-hydroxy-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 10891099
1-O-ethyl 4-O-methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 171364156
tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
tert-butyl N-[(2R)-1-[ethyl(hydroxy)amino]-1-oxopropan-2-yl]carbamate
CID 89421028
methyl 3-(diethylamino)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate
CID 101356132
methyl (3R)-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate
CID 10659864

Frequently Asked Questions

What is the IUPAC name of methyl 3-(diethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The IUPAC name of methyl 3-(diethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (CID 101356131) is methyl 3-(diethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.
What is the SMILES notation for methyl 3-(diethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The canonical SMILES for methyl 3-(diethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is CCN(CC)C(CC(=O)OC)C(C)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl 3-(diethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The InChIKey is GUHMHOXKVJFYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4/c1-8-17(9-2)12(10-13(18)20-7)11(3)16-14(19)21-15(4,5)6/h11-12H,8-10H2,1-7H3,(H,16,19).
What are the key properties of methyl 3-(diethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
methyl 3-(diethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate has a molecular weight of 302.41 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(diethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is sourced from PubChem (CID 101356131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).