2-[3-(naphthalene-2-carbonylamino)propanoyl-(oxan-4-yl)amino]acetic acid

C21H24N2O5 — CID 75429098

IUPAC2-[3-(naphthalene-2-carbonylamino)propanoyl-(oxan-4-yl)amino]acetic acid
SMILESO=C(O)CN(C(=O)CCNC(=O)c1ccc2ccccc2c1)C1CCOCC1
InChIInChI=1S/C21H24N2O5/c24-19(23(14-20(25)26)18-8-11-28-12-9-18)7-10-22-21(27)17-6-5-15-3-1-2-4-16(15)13-17/h1-6,13,18H,7-12,14H2,(H,22,27)(H,25,26)
InChIKeyLUTAIJGRCQDNSG-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.05
Rot. Bonds7

About 2-[3-(naphthalene-2-carbonylamino)propanoyl-(oxan-4-yl)amino]acetic acid

2-[3-(naphthalene-2-carbonylamino)propanoyl-(oxan-4-yl)amino]acetic acid (PubChem CID 75429098) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-[3-(naphthalene-2-carbonylamino)propanoyl-(oxan-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[3-(naphthalene-2-carbonylamino)propanoyl-(oxan-4-yl)amino]acetic acid
PubChem CID75429098
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name2-[3-(naphthalene-2-carbonylamino)propanoyl-(oxan-4-yl)amino]acetic acid
SMILESO=C(O)CN(C(=O)CCNC(=O)c1ccc2ccccc2c1)C1CCOCC1
InChIInChI=1S/C21H24N2O5/c24-19(23(14-20(25)26)18-8-11-28-12-9-18)7-10-22-21(27)17-6-5-15-3-1-2-4-16(15)13-17/h1-6,13,18H,7-12,14H2,(H,22,27)(H,25,26)
InChIKeyLUTAIJGRCQDNSG-UHFFFAOYSA-N
XLogP2.05
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[3-[(2-phenylacetyl)amino]propanoyl]amino]acetic acid
CID 119194773
N-[3-[N-(2-morpholin-4-ylethyl)anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 60622352
3-[2-methylpropyl-[3-(naphthalene-2-carbonylamino)propanoyl]amino]propanoic acid
CID 119189971
2-[4-[3-(naphthalene-2-carbonylamino)propanoylamino]oxan-4-yl]acetic acid
CID 119214636
N-[3-[(1,1-dioxothiolan-3-yl)-methylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 134054053
N-[3-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 78852133
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
N-(2-hydroxyethyl)naphthalene-2-carboxamide
CID 13288324
N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001
N-[3-oxo-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propyl]naphthalene-2-carboxamide
CID 55862498
N-[3-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 32869761
4-[3-(naphthalene-2-carbonylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229008

Frequently Asked Questions

What is the IUPAC name of 2-[3-(naphthalene-2-carbonylamino)propanoyl-(oxan-4-yl)amino]acetic acid?
The IUPAC name of 2-[3-(naphthalene-2-carbonylamino)propanoyl-(oxan-4-yl)amino]acetic acid (CID 75429098) is 2-[3-(naphthalene-2-carbonylamino)propanoyl-(oxan-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[3-(naphthalene-2-carbonylamino)propanoyl-(oxan-4-yl)amino]acetic acid?
The canonical SMILES for 2-[3-(naphthalene-2-carbonylamino)propanoyl-(oxan-4-yl)amino]acetic acid is O=C(O)CN(C(=O)CCNC(=O)c1ccc2ccccc2c1)C1CCOCC1.
What is the InChIKey of 2-[3-(naphthalene-2-carbonylamino)propanoyl-(oxan-4-yl)amino]acetic acid?
The InChIKey is LUTAIJGRCQDNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c24-19(23(14-20(25)26)18-8-11-28-12-9-18)7-10-22-21(27)17-6-5-15-3-1-2-4-16(15)13-17/h1-6,13,18H,7-12,14H2,(H,22,27)(H,25,26).
What are the key properties of 2-[3-(naphthalene-2-carbonylamino)propanoyl-(oxan-4-yl)amino]acetic acid?
2-[3-(naphthalene-2-carbonylamino)propanoyl-(oxan-4-yl)amino]acetic acid has a molecular weight of 384.43 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(naphthalene-2-carbonylamino)propanoyl-(oxan-4-yl)amino]acetic acid is sourced from PubChem (CID 75429098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).