3-[carbamoyl-(6-hydroxynaphthalen-1-yl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

C20H24N2O6 — CID 67580185

IUPAC3-[carbamoyl-(6-hydroxynaphthalen-1-yl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILESCC(C)(C)OC(=O)CC(CC(=O)O)N(C(N)=O)c1cccc2cc(O)ccc12
InChIInChI=1S/C20H24N2O6/c1-20(2,3)28-18(26)11-13(10-17(24)25)22(19(21)27)16-6-4-5-12-9-14(23)7-8-15(12)16/h4-9,13,23H,10-11H2,1-3H3,(H2,21,27)(H,24,25)
InChIKeyPKTQREDEAOOHOQ-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.01
Rot. Bonds6

About 3-[carbamoyl-(6-hydroxynaphthalen-1-yl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

3-[carbamoyl-(6-hydroxynaphthalen-1-yl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (PubChem CID 67580185) has the molecular formula C20H24N2O6 and a molecular weight of 388.42 g/mol. Its IUPAC name is 3-[carbamoyl-(6-hydroxynaphthalen-1-yl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.

Molecular Properties

Compound Name3-[carbamoyl-(6-hydroxynaphthalen-1-yl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
PubChem CID67580185
Molecular FormulaC20H24N2O6
Molecular Weight388.42 g/mol
Exact Mass388.16
IUPAC Name3-[carbamoyl-(6-hydroxynaphthalen-1-yl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILESCC(C)(C)OC(=O)CC(CC(=O)O)N(C(N)=O)c1cccc2cc(O)ccc12
InChIInChI=1S/C20H24N2O6/c1-20(2,3)28-18(26)11-13(10-17(24)25)22(19(21)27)16-6-4-5-12-9-14(23)7-8-15(12)16/h4-9,13,23H,10-11H2,1-3H3,(H2,21,27)(H,24,25)
InChIKeyPKTQREDEAOOHOQ-UHFFFAOYSA-N
XLogP3.01
TPSA130.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[carbamoyl-(6-hydroxynaphthalen-1-yl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid with MolForge

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Related Compounds

(3S)-3-[(2-methylpropan-2-yl)oxycarbonyl-naphthalen-1-ylamino]butanoic acid
CID 71433211
tert-butyl N-[acetyl-(7-hydroxynaphthalen-1-yl)amino]carbamate
CID 54373104
tert-butyl (3R)-3-[benzyl(propan-2-yl)amino]-3-naphthalen-1-ylpropanoate
CID 134918783
tert-butyl (3S)-3-amino-4-naphthalen-2-ylbutanoate
CID 166000692
(3S,4R)-3-amino-5-[(2-methylpropan-2-yl)oxy]-4-naphthalen-1-yl-5-oxopentanoic acid
CID 29416205
tert-butyl 3-amino-3-(3-phenylphenyl)propanoate
CID 90850657
tert-butyl 5-(5-naphthalen-1-yltetrazol-1-yl)-4-oxo-3-(phenylmethoxycarbonylamino)pentanoate
CID 70093182
tert-butyl 5-acetyloxy-4-oxo-3-(phenylmethoxycarbonylamino)pentanoate;naphthalene
CID 67577177
tert-butyl 2-(3-hydroxyanilino)acetate
CID 68777039
(3R)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 139971647
tert-butyl 3-[2-aminoethyl(isoquinolin-5-yl)amino]propanoate
CID 58824149
tert-butyl N-(3,3-diphenylpropanoyl)-N-quinolin-8-ylcarbamate
CID 138964998

Frequently Asked Questions

What is the IUPAC name of 3-[carbamoyl-(6-hydroxynaphthalen-1-yl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The IUPAC name of 3-[carbamoyl-(6-hydroxynaphthalen-1-yl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (CID 67580185) is 3-[carbamoyl-(6-hydroxynaphthalen-1-yl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.
What is the SMILES notation for 3-[carbamoyl-(6-hydroxynaphthalen-1-yl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The canonical SMILES for 3-[carbamoyl-(6-hydroxynaphthalen-1-yl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is CC(C)(C)OC(=O)CC(CC(=O)O)N(C(N)=O)c1cccc2cc(O)ccc12.
What is the InChIKey of 3-[carbamoyl-(6-hydroxynaphthalen-1-yl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The InChIKey is PKTQREDEAOOHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6/c1-20(2,3)28-18(26)11-13(10-17(24)25)22(19(21)27)16-6-4-5-12-9-14(23)7-8-15(12)16/h4-9,13,23H,10-11H2,1-3H3,(H2,21,27)(H,24,25).
What are the key properties of 3-[carbamoyl-(6-hydroxynaphthalen-1-yl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
3-[carbamoyl-(6-hydroxynaphthalen-1-yl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid has a molecular weight of 388.42 g/mol, XLogP of 3.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[carbamoyl-(6-hydroxynaphthalen-1-yl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is sourced from PubChem (CID 67580185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).