tert-butyl N-[2-acetamido-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate

C15H29N3O5 — CID 130120378

IUPACtert-butyl N-[2-acetamido-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
SMILESCC(=O)NC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H29N3O5/c1-10(19)18-11(8-16-12(20)22-14(2,3)4)9-17-13(21)23-15(5,6)7/h11H,8-9H2,1-7H3,(H,16,20)(H,17,21)(H,18,19)
InChIKeyURHYAAAXCDCBHX-UHFFFAOYSA-N
MW331.41 g/mol
LogP1.54
Rot. Bonds5

About tert-butyl N-[2-acetamido-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate

tert-butyl N-[2-acetamido-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate (PubChem CID 130120378) has the molecular formula C15H29N3O5 and a molecular weight of 331.41 g/mol. Its IUPAC name is tert-butyl N-[2-acetamido-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-acetamido-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
PubChem CID130120378
Molecular FormulaC15H29N3O5
Molecular Weight331.41 g/mol
Exact Mass331.21
IUPAC Nametert-butyl N-[2-acetamido-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
SMILESCC(=O)NC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H29N3O5/c1-10(19)18-11(8-16-12(20)22-14(2,3)4)9-17-13(21)23-15(5,6)7/h11H,8-9H2,1-7H3,(H,16,20)(H,17,21)(H,18,19)
InChIKeyURHYAAAXCDCBHX-UHFFFAOYSA-N
XLogP1.54
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanylpropan-2-yl]carbamate
CID 88622275
tert-butyl N-[2-[1,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylamino]ethyl]carbamate
CID 131048509
S-[2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propyl] ethanethioate
CID 140880775
tert-butyl N-[(2S)-1-(methoxycarbonylamino)-4-methylpentan-2-yl]carbamate
CID 110288510
tert-butyl N-(2-chloro-2-nitrosoethyl)carbamate
CID 91269741
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965
tert-butyl N-[(2R)-2-amino-3-oxobutyl]carbamate
CID 170234011
tert-butyl N-[3-methoxy-2-(methylcarbamoylamino)propyl]carbamate
CID 58758815
tert-butyl N-(2-hydroxy-2-sulfanylethyl)carbamate
CID 155160397
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
(2R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 18631841
tert-butyl N-[(2S)-3-hydroxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxycarbonylamino]propyl]carbamate
CID 169075876

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-acetamido-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-acetamido-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate (CID 130120378) is tert-butyl N-[2-acetamido-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-acetamido-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-acetamido-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate is CC(=O)NC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-acetamido-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate?
The InChIKey is URHYAAAXCDCBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O5/c1-10(19)18-11(8-16-12(20)22-14(2,3)4)9-17-13(21)23-15(5,6)7/h11H,8-9H2,1-7H3,(H,16,20)(H,17,21)(H,18,19).
What are the key properties of tert-butyl N-[2-acetamido-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate?
tert-butyl N-[2-acetamido-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate has a molecular weight of 331.41 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-acetamido-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate is sourced from PubChem (CID 130120378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).