CID 59574067

C14H19N2O3 — CID 59574067

IUPAC—
SMILESCCC(=O)[C@@H](C)NC(=O)[C@@H]([NH])Cc1ccc(O)cc1
InChIInChI=1S/C14H19N2O3/c1-3-13(18)9(2)16-14(19)12(15)8-10-4-6-11(17)7-5-10/h4-7,9,12,15,17H,3,8H2,1-2H3,(H,16,19)/t9-,12+/m1/s1
InChIKeyNTONKEBLLAJAEZ-SKDRFNHKSA-N
MW263.32 g/mol
LogP1.07
Rot. Bonds6

About CID 59574067

CID 59574067 (PubChem CID 59574067) has the molecular formula C14H19N2O3 and a molecular weight of 263.32 g/mol.

Molecular Properties

Compound NameCID 59574067
PubChem CID59574067
Molecular FormulaC14H19N2O3
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name—
SMILESCCC(=O)[C@@H](C)NC(=O)[C@@H]([NH])Cc1ccc(O)cc1
InChIInChI=1S/C14H19N2O3/c1-3-13(18)9(2)16-14(19)12(15)8-10-4-6-11(17)7-5-10/h4-7,9,12,15,17H,3,8H2,1-2H3,(H,16,19)/t9-,12+/m1/s1
InChIKeyNTONKEBLLAJAEZ-SKDRFNHKSA-N
XLogP1.07
TPSA90.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 66598933
ethane;N-[1-(4-hydroxyphenyl)propan-2-yl]propanamide
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ethyl 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoate
CID 76905411
2-methyl-N-(3-oxopentan-2-yl)propanamide
CID 64991731
4-(2-methylpropyl)phenol;propanoic acid
CID 174874916
N-[4-(4-hydroxyphenyl)-3-oxobutan-2-yl]acetamide
CID 22239429
2-[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]propanoylamino]propanoic acid
CID 19950021
[(2S)-1-(4-hydroxyphenyl)propan-2-yl]carbamic acid
CID 124508416
2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
CID 103109192
2-[[2-(2-aminopropanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]propanoic acid
CID 23195525
4-[[4-[2-(4-hydroxyphenyl)ethenyl]phenyl]methyl]heptane-3,5-dione
CID 3007334
2-[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]propanoylamino]-3-(4-hydroxyphenyl)propanoic acid
CID 19950038

Frequently Asked Questions

What is the IUPAC name of CID 59574067?
The IUPAC name of CID 59574067 (CID 59574067) is not available.
What is the SMILES notation for CID 59574067?
The canonical SMILES for CID 59574067 is CCC(=O)[C@@H](C)NC(=O)[C@@H]([NH])Cc1ccc(O)cc1.
What is the InChIKey of CID 59574067?
The InChIKey is NTONKEBLLAJAEZ-SKDRFNHKSA-N. The full InChI is InChI=1S/C14H19N2O3/c1-3-13(18)9(2)16-14(19)12(15)8-10-4-6-11(17)7-5-10/h4-7,9,12,15,17H,3,8H2,1-2H3,(H,16,19)/t9-,12+/m1/s1.
What are the key properties of CID 59574067?
CID 59574067 has a molecular weight of 263.32 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59574067 is sourced from PubChem (CID 59574067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).