benzyl N-[3-[(3-amino-3-oxopropyl)amino]cyclobutyl]carbamate

C15H21N3O3 — CID 103392992

IUPACbenzyl N-[3-[(3-amino-3-oxopropyl)amino]cyclobutyl]carbamate
SMILESNC(=O)CCNC1CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H21N3O3/c16-14(19)6-7-17-12-8-13(9-12)18-15(20)21-10-11-4-2-1-3-5-11/h1-5,12-13,17H,6-10H2,(H2,16,19)(H,18,20)
InChIKeyKRLPONKMYWSFMJ-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.91
Rot. Bonds7

About benzyl N-[3-[(3-amino-3-oxopropyl)amino]cyclobutyl]carbamate

benzyl N-[3-[(3-amino-3-oxopropyl)amino]cyclobutyl]carbamate (PubChem CID 103392992) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is benzyl N-[3-[(3-amino-3-oxopropyl)amino]cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[(3-amino-3-oxopropyl)amino]cyclobutyl]carbamate
PubChem CID103392992
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Namebenzyl N-[3-[(3-amino-3-oxopropyl)amino]cyclobutyl]carbamate
SMILESNC(=O)CCNC1CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H21N3O3/c16-14(19)6-7-17-12-8-13(9-12)18-15(20)21-10-11-4-2-1-3-5-11/h1-5,12-13,17H,6-10H2,(H2,16,19)(H,18,20)
InChIKeyKRLPONKMYWSFMJ-UHFFFAOYSA-N
XLogP0.91
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]cyclobutyl]carbamate
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CID 103393780
benzyl N-[3-[3-(cyclopropylmethoxy)propylamino]cyclobutyl]carbamate
CID 103392919
benzyl N-(3-iodocyclobutyl)carbamate
CID 177035256
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408
benzyl N-[3-(3-imidazol-1-ylpropylamino)cyclobutyl]carbamate
CID 103392953
benzyl N-[3-[(3-hydroxy-2-methylpropyl)amino]cyclobutyl]carbamate
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CID 103393492

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[(3-amino-3-oxopropyl)amino]cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-[(3-amino-3-oxopropyl)amino]cyclobutyl]carbamate (CID 103392992) is benzyl N-[3-[(3-amino-3-oxopropyl)amino]cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-[(3-amino-3-oxopropyl)amino]cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-[(3-amino-3-oxopropyl)amino]cyclobutyl]carbamate is NC(=O)CCNC1CC(NC(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl N-[3-[(3-amino-3-oxopropyl)amino]cyclobutyl]carbamate?
The InChIKey is KRLPONKMYWSFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c16-14(19)6-7-17-12-8-13(9-12)18-15(20)21-10-11-4-2-1-3-5-11/h1-5,12-13,17H,6-10H2,(H2,16,19)(H,18,20).
What are the key properties of benzyl N-[3-[(3-amino-3-oxopropyl)amino]cyclobutyl]carbamate?
benzyl N-[3-[(3-amino-3-oxopropyl)amino]cyclobutyl]carbamate has a molecular weight of 291.35 g/mol, XLogP of 0.91, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[(3-amino-3-oxopropyl)amino]cyclobutyl]carbamate is sourced from PubChem (CID 103392992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).