N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propyl]cyclobutanecarboxamide

C17H25N3O2 — CID 119338181

IUPACN-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propyl]cyclobutanecarboxamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NCCCNC(=O)C1CCC1
InChIInChI=1S/C17H25N3O2/c18-15(12-13-6-2-1-3-7-13)17(22)20-11-5-10-19-16(21)14-8-4-9-14/h1-3,6-7,14-15H,4-5,8-12,18H2,(H,19,21)(H,20,22)/t15-/m0/s1
InChIKeyAGHGLSZWZPOQJC-HNNXBMFYSA-N
MW303.41 g/mol
LogP0.98
Rot. Bonds8

About N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propyl]cyclobutanecarboxamide

N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propyl]cyclobutanecarboxamide (PubChem CID 119338181) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propyl]cyclobutanecarboxamide
PubChem CID119338181
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propyl]cyclobutanecarboxamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NCCCNC(=O)C1CCC1
InChIInChI=1S/C17H25N3O2/c18-15(12-13-6-2-1-3-7-13)17(22)20-11-5-10-19-16(21)14-8-4-9-14/h1-3,6-7,14-15H,4-5,8-12,18H2,(H,19,21)(H,20,22)/t15-/m0/s1
InChIKeyAGHGLSZWZPOQJC-HNNXBMFYSA-N
XLogP0.98
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-cyclopropylpropyl)-3-phenylpropanamide
CID 113264265
2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 14308256
(2S)-2-amino-N-(2-cyclopentylethyl)-3-phenylpropanamide;hydrochloride
CID 119289813
(2S)-2-amino-N-(2-cyclohexylethyl)-3-phenylpropanamide
CID 61178134
(2R)-2-amino-N-(3-methylsulfinylpropyl)-3-phenylpropanamide
CID 103796473
(2S)-2-amino-N-(8-aminooctyl)-3-phenylpropanamide
CID 134824441
2-amino-N-decyl-3-phenylpropanamide
CID 122423651
2-amino-N-[3-(diethylamino)propyl]-3-phenylpropanamide
CID 24696027
2-amino-N-(3-methoxypropyl)-3-phenylpropanamide
CID 43153328
(2S)-2-amino-N-(5-methylhexyl)-3-phenylpropanamide
CID 81433070
2-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide
CID 119850923
2-amino-3-phenyl-N-(3-propoxypropyl)propanamide
CID 82942033

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propyl]cyclobutanecarboxamide (CID 119338181) is N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propyl]cyclobutanecarboxamide is N[C@@H](Cc1ccccc1)C(=O)NCCCNC(=O)C1CCC1.
What is the InChIKey of N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propyl]cyclobutanecarboxamide?
The InChIKey is AGHGLSZWZPOQJC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N3O2/c18-15(12-13-6-2-1-3-7-13)17(22)20-11-5-10-19-16(21)14-8-4-9-14/h1-3,6-7,14-15H,4-5,8-12,18H2,(H,19,21)(H,20,22)/t15-/m0/s1.
What are the key properties of N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propyl]cyclobutanecarboxamide?
N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propyl]cyclobutanecarboxamide has a molecular weight of 303.41 g/mol, XLogP of 0.98, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propyl]cyclobutanecarboxamide is sourced from PubChem (CID 119338181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).