4-[[(4-hydroxyphenyl)-methylcarbamoyl]-propan-2-ylamino]butanoic acid

C15H22N2O4 — CID 107737053

IUPAC4-[[(4-hydroxyphenyl)-methylcarbamoyl]-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C15H22N2O4/c1-11(2)17(10-4-5-14(19)20)15(21)16(3)12-6-8-13(18)9-7-12/h6-9,11,18H,4-5,10H2,1-3H3,(H,19,20)
InChIKeyQBHMQZJQEMDICN-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.52
Rot. Bonds6

About 4-[[(4-hydroxyphenyl)-methylcarbamoyl]-propan-2-ylamino]butanoic acid

4-[[(4-hydroxyphenyl)-methylcarbamoyl]-propan-2-ylamino]butanoic acid (PubChem CID 107737053) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-[[(4-hydroxyphenyl)-methylcarbamoyl]-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[[(4-hydroxyphenyl)-methylcarbamoyl]-propan-2-ylamino]butanoic acid
PubChem CID107737053
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name4-[[(4-hydroxyphenyl)-methylcarbamoyl]-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C15H22N2O4/c1-11(2)17(10-4-5-14(19)20)15(21)16(3)12-6-8-13(18)9-7-12/h6-9,11,18H,4-5,10H2,1-3H3,(H,19,20)
InChIKeyQBHMQZJQEMDICN-UHFFFAOYSA-N
XLogP2.52
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4-hydroxyphenyl)-methylcarbamoyl]-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[[(4-hydroxyphenyl)-methylcarbamoyl]-propan-2-ylamino]butanoic acid (CID 107737053) is 4-[[(4-hydroxyphenyl)-methylcarbamoyl]-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[[(4-hydroxyphenyl)-methylcarbamoyl]-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[[(4-hydroxyphenyl)-methylcarbamoyl]-propan-2-ylamino]butanoic acid is CC(C)N(CCCC(=O)O)C(=O)N(C)c1ccc(O)cc1.
What is the InChIKey of 4-[[(4-hydroxyphenyl)-methylcarbamoyl]-propan-2-ylamino]butanoic acid?
The InChIKey is QBHMQZJQEMDICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11(2)17(10-4-5-14(19)20)15(21)16(3)12-6-8-13(18)9-7-12/h6-9,11,18H,4-5,10H2,1-3H3,(H,19,20).
What are the key properties of 4-[[(4-hydroxyphenyl)-methylcarbamoyl]-propan-2-ylamino]butanoic acid?
4-[[(4-hydroxyphenyl)-methylcarbamoyl]-propan-2-ylamino]butanoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-hydroxyphenyl)-methylcarbamoyl]-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 107737053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).