N-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]cyclobutanecarboxamide

C15H21N3O2 — CID 119282339

IUPACN-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]cyclobutanecarboxamide
SMILESC[C@H](N)C(=O)NCc1cccc(NC(=O)C2CCC2)c1
InChIInChI=1S/C15H21N3O2/c1-10(16)14(19)17-9-11-4-2-7-13(8-11)18-15(20)12-5-3-6-12/h2,4,7-8,10,12H,3,5-6,9,16H2,1H3,(H,17,19)(H,18,20)/t10-/m0/s1
InChIKeyFQSYRBYDRUKBHR-JTQLQIEISA-N
MW275.35 g/mol
LogP1.39
Rot. Bonds5

About N-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]cyclobutanecarboxamide

N-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]cyclobutanecarboxamide (PubChem CID 119282339) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]cyclobutanecarboxamide
PubChem CID119282339
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]cyclobutanecarboxamide
SMILESC[C@H](N)C(=O)NCc1cccc(NC(=O)C2CCC2)c1
InChIInChI=1S/C15H21N3O2/c1-10(16)14(19)17-9-11-4-2-7-13(8-11)18-15(20)12-5-3-6-12/h2,4,7-8,10,12H,3,5-6,9,16H2,1H3,(H,17,19)(H,18,20)/t10-/m0/s1
InChIKeyFQSYRBYDRUKBHR-JTQLQIEISA-N
XLogP1.39
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[(2-amino-3-methylpentanoyl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 119741621
N-[3-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclobutanecarboxamide;hydrochloride
CID 120985544
N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 17398040
N-[3-[(2-aminopentanoylamino)methyl]phenyl]cyclopentanecarboxamide
CID 119299331
N-[3-[[(2-amino-2-phenylacetyl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 119299327
N-[3-[[[(2R)-2-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 30291694
N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119305205
N-[3-[(2-methoxypropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 47303341
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 119710727
2-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide
CID 119944325
N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide
CID 78968942
N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]-2-methylbutanamide;hydrochloride
CID 119285748

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]cyclobutanecarboxamide (CID 119282339) is N-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]cyclobutanecarboxamide is C[C@H](N)C(=O)NCc1cccc(NC(=O)C2CCC2)c1.
What is the InChIKey of N-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]cyclobutanecarboxamide?
The InChIKey is FQSYRBYDRUKBHR-JTQLQIEISA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(16)14(19)17-9-11-4-2-7-13(8-11)18-15(20)12-5-3-6-12/h2,4,7-8,10,12H,3,5-6,9,16H2,1H3,(H,17,19)(H,18,20)/t10-/m0/s1.
What are the key properties of N-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]cyclobutanecarboxamide?
N-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]cyclobutanecarboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 119282339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).